N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-(p-tolyl)acetamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C23H23N3OS/c1-16-8-10-19(11-9-16)26(13-5-12-24)22(27)15-28-21-14-18(3)20-7-4-6-17(2)23(20)25-21/h4,6-11,14H,5,13,15H2,1-3H3