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

Systemtic Name: 2-(3-aminophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-ethanamide Openeye Name: 2-(3-aminophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-acetamide CAS Name: 2-[(3-aminophenyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide IUPAC Name: 2-(3-aminophenyl)sulfanyl-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide Traditional Name: 2-[(3-aminophenyl)thio]-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-acetamide Formula: C29H25N3OS2 MolecularWeight: 495.6583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)C(C4=CC=CC=C4)SC5=CC=CC(=C5)N

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)C(C4=CC=CC=C4)SC5=CC=CC(=C5)N

InChI

InChI=1S/C29H25N3OS2/c30-18-25-24-15-14-21(19-8-3-1-4-9-19)16-26(24)35-29(25)32-28(33)27(20-10-5-2-6-11-20)34-23-13-7-12-22(31)17-23/h1-13,17,21,27H,14-16,31H2,(H,32,33)