N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C31H28N4OS3 MolecularWeight: 568.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)SC4=CC=CC(=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)SC4=CC=CC(=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C31H28N4OS3/c1-20(38-25-14-8-13-24(18-25)34-31(37)33-23-11-6-3-7-12-23)29(36)35-30-27(19-32)26-16-15-22(17-28(26)39-30)21-9-4-2-5-10-21/h2-14,18,20,22H,15-17H2,1H3,(H,35,36)(H2,33,34,37)