Molecule FYI-1016682

A

Molecule Summary:

ID: FYI-1016682
Names:
InChIKey: BTFMCMVEUCGQDX-UHFFFAOYSA-N
SMILES: CC(=O)c4ccc3sc1ccccc1n(CCCN2CCC(CCO)CC2)c3c4

Received at FYIcenter.com on: 2026-02-14

Molecule ID: FYI-1016682 Edit

Molecule Structure InChIKey: BTFMCMVEUCGQDX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c4ccc3sc1ccccc1n(CCCN2CCC(CCO)CC2)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016682
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 S   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  9  4  1  0  0  0  0
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 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 29  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016682-3D
FYIcenter.com

 59 62  0     0  0  0  0  0  0999 V2000
   -2.9969    0.9942    2.0910 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.3405    1.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1596    4.3411   -0.6904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349   -1.8508    0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803   -0.0995   -0.6359 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9634   -1.8285    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2019   -1.8825   -1.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853   -1.1771    1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8315   -2.5414   -1.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0709   -1.0623    1.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3022   -0.8987   -1.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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