N-[1-cyano-4-oxidanylidene-4-phenyl-2-(phenylcarbonyl)butyl]-2-sulfanyl-ethanamide

Systemtic Name: N-[1-cyano-4-oxidanylidene-4-phenyl-2-(phenylcarbonyl)butyl]-2-sulfanyl-ethanamide Openeye Name: N-(2-benzoyl-1-cyano-4-oxo-4-phenyl-butyl)-2-sulfanyl-acetamide CAS Name: N-(2-benzoyl-1-cyano-4-oxo-4-phenylbutyl)-2-mercaptoacetamide IUPAC Name: N-(2-benzoyl-1-cyano-4-oxo-4-phenylbutyl)-2-sulfanylacetamide Traditional Name: N-(2-benzoyl-1-cyano-4-keto-4-phenyl-butyl)-2-mercapto-acetamide Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C(C#N)NC(=O)CS)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(C(C#N)NC(=O)CS)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H18N2O3S/c21-12-17(22-19(24)13-26)16(20(25)15-9-5-2-6-10-15)11-18(23)14-7-3-1-4-8-14/h1-10,16-17,26H,11,13H2,(H,22,24)