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

Systemtic Name: 2-(4-aminophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-ethanamide Openeye Name: 2-(4-aminophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-acetamide CAS Name: 2-[(4-aminophenyl)thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide IUPAC Name: 2-(4-aminophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylacetamide Traditional Name: 2-[(4-aminophenyl)thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-acetamide Formula: C27H29N3OS2 MolecularWeight: 475.66866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)N

InChI

InChI=1S/C27H29N3OS2/c1-27(2,3)18-9-14-21-22(16-28)26(33-23(21)15-18)30-25(31)24(17-7-5-4-6-8-17)32-20-12-10-19(29)11-13-20/h4-8,10-13,18,24H,9,14-15,29H2,1-3H3,(H,30,31)