Molecule Editor

Molecule ID: FYI-1015643 Edit

Molecule Structure InChIKey: QKGOJTLQDBITRB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc3N(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015643
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   12.1244    9.1000    0.0000 C   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
    9.6995    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
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  2  0  0  0  0
 28  2  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015643-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
   -7.1366   -3.5304    5.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8695   -2.6079    4.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9826   -2.1421    3.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8341   -1.2846    2.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5658   -0.9063    2.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4451   -0.0416    1.2023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4341    0.0295    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864   -1.1377   -0.0923 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3757    1.2004   -0.4695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2848    2.2543   -0.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4245    2.1719   -0.0656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8217    3.4836   -1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4895    3.8998   -1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9804    5.0317   -1.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7974    5.7721   -2.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1251    5.3897   -2.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6637    4.2416   -2.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1095    3.8939   -2.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9939    4.5908   -1.5139 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3427    4.4499   -1.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9452    3.6723   -2.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3445    3.6255   -2.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1417    4.3501   -1.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8563    4.3053   -2.1117 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -12.5550    5.1277   -0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1576    5.1743   -0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4621   -1.3307    3.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5795   -2.1762    4.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3895   -2.5427    4.8821 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.1670    5.6997   -0.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9749   -2.4996    3.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6316   -2.6141    6.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  2  0  0  0  0
  3  4  2  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
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 15 41  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$