Molecule FYI-1006793

A

Molecule Summary:

ID: FYI-1006793
Names:
InChIKey: SNVUQCVMXCTAEQ-UHFFFAOYSA-N
SMILES: CC(=S)NC(=O)CCC(=O)N3CCc2[nH]c1ccccc1c2C3

Received at FYIcenter.com on: 2024-01-17

Molecule ID: FYI-1006793 Edit

Molecule Structure InChIKey: SNVUQCVMXCTAEQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=S)NC(=O)CCC(=O)N3CCc2[nH]c1ccccc1c2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006793
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   15.0281    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8156    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8156    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6032    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3908    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3908    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006793-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.3637    2.7654    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    1.6107    0.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1277    1.2890    0.7972 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5911    0.8033    1.6026 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    0.9173    1.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6452    1.7827    1.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5827   -0.1253    2.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0963    0.1068    2.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8502   -0.8979    3.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2541   -1.8100    4.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2305   -0.7395    3.6231 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0068    0.3058    2.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0212    1.0073    3.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7722   -0.0465    4.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9948    0.0832    5.1563 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3821   -1.1308    5.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5589   -1.4884    6.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6906   -2.8164    6.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6833   -3.7480    6.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5074   -3.3741    5.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 28  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  2  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2024-01-24, 243👍, 0💬