2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S2/c1-3-24(33-21-11-7-10-20(15-21)29-17(2)31)26(32)30-27-23(16-28)22-13-12-19(14-25(22)34-27)18-8-5-4-6-9-18/h4-11,15,19,24H,3,12-14H2,1-2H3,(H,29,31)(H,30,32)