3-acetamido-N-(2-cyanoethyl)-N-methyl-4-(4-methylphenyl)sulfanyl-benzamide

Systemtic Name: 3-acetamido-N-(2-cyanoethyl)-N-methyl-4-(4-methylphenyl)sulfanyl-benzamide Openeye Name: 3-acetamido-N-(2-cyanoethyl)-N-methyl-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-N-(2-cyanoethyl)-N-methyl-4-[(4-methylphenyl)thio]benzamide IUPAC Name: 3-acetamido-N-(2-cyanoethyl)-N-methyl-4-(4-methylphenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-(2-cyanoethyl)-N-methyl-4-(p-tolylthio)benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N(C)CCC#N)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N(C)CCC#N)NC(=O)C

InChI

InChI=1S/C20H21N3O2S/c1-14-5-8-17(9-6-14)26-19-10-7-16(13-18(19)22-15(2)24)20(25)23(3)12-4-11-21/h5-10,13H,4,12H2,1-3H3,(H,22,24)