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

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C21H23N3O2S2/c1-3-18(27-15-8-6-7-14(11-15)23-13(2)25)20(26)24-21-17(12-22)16-9-4-5-10-19(16)28-21/h6-8,11,18H,3-5,9-10H2,1-2H3,(H,23,25)(H,24,26)