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

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C25H31N3O2S2/c1-6-21(31-18-9-7-8-17(13-18)27-15(2)29)23(30)28-24-20(14-26)19-11-10-16(25(3,4)5)12-22(19)32-24/h7-9,13,16,21H,6,10-12H2,1-5H3,(H,27,29)(H,28,30)