2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C21H23N3O2S/c1-15-11-16(2)13-19(12-15)24(10-4-9-22)21(26)14-27-20-7-5-18(6-8-20)23-17(3)25/h5-8,11-13H,4,10,14H2,1-3H3,(H,23,25)