2-(3-acetamidophenyl)sulfanyl-N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]butanamide

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]butanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-[3-cyano-4-(p-tolyl)-2-thienyl]butanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-[3-cyano-4-(4-methylphenyl)-2-thiophenyl]butanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]butanamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-[3-cyano-4-(p-tolyl)-2-thienyl]butyramide Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C#N)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C#N)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C24H23N3O2S2/c1-4-22(31-19-7-5-6-18(12-19)26-16(3)28)23(29)27-24-20(13-25)21(14-30-24)17-10-8-15(2)9-11-17/h5-12,14,22H,4H2,1-3H3,(H,26,28)(H,27,29)