Molecule FYI-1015637

A

Molecule Summary:

ID: FYI-1015637
Names:
InChIKey: LEHASGFUFSCNBA-UHFFFAOYSA-N
SMILES: COc3cc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc(OC)c3

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

Molecule ID: FYI-1015637 Edit

Molecule Structure InChIKey: LEHASGFUFSCNBA-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc(OC)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015637
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   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
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    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
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    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
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    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  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
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 17 12  1  0  0  0  0
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 21 20  2  0  0  0  0
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 23 22  2  0  0  0  0
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 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27  5  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 28  2  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015637-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
    2.7424    1.0573   -1.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948    0.9060   -0.3985 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6454   -0.0391   -0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9067   -0.8334   -2.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -1.7847   -2.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2406   -2.5836   -3.5798 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425   -2.9318   -4.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9241   -3.1373   -3.4075 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830   -3.1890   -5.5157 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2357   -3.2078   -6.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8853   -2.9601   -5.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -3.6919   -7.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1719   -5.1535  -10.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8485   -0.9238   -9.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543    0.2543   -9.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7978    0.4577   -8.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7871    2.7744   -9.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  3 31  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 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
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 10 11  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

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2025-09-24, 876👍, 0💬