Molecule FYI-1015634

A

Molecule Summary:

ID: FYI-1015634
Names:
InChIKey: ROCIFXMCXREOFS-UHFFFAOYSA-N
SMILES: COc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc3OC

Received at FYIcenter.com on: 2025-09-20

Molecule ID: FYI-1015634 Edit

Molecule Structure InChIKey: ROCIFXMCXREOFS-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015634
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 27 21  1  0  0  0  0
 28  6  1  0  0  0  0
 29 28  2  0  0  0  0
 29  3  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015634-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
   -2.5202   -1.3980    4.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316   -1.8646    3.9453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1668   -1.2573    4.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340   -0.7511    5.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946   -0.2028    6.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151   -0.1459    5.7991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2075    0.3775    6.5155 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4922    0.6647    6.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0976    0.9912    4.6120 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4096    0.6735    7.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1823    0.6323    8.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386    0.7209    8.9933 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3471    0.4747    9.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9635    0.2581   10.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8963   -0.0203   11.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2404   -0.0996   11.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512    0.1600   10.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279    0.4873    9.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3239    0.8052    7.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0840   -0.3319    7.0034 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5456   -0.3164    5.7186 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0907    0.7821    5.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4472    0.6715    3.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2679   -0.5310    3.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6949   -0.6507    1.3658 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7369   -1.6343    3.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1906   -0.6889    4.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0649   -1.2323    3.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471   -1.7660    2.6537 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5851   -2.5746    3.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1275   -0.7486    3.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1292   -0.6467    1.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4062   -2.4330    1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  2  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 27  2  0  0  0  0
 22 23  2  0  0  0  0
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 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
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 27 48  1  0  0  0  0
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 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

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2025-09-24, 693👍, 0💬