N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-methyl-2-quinolyl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-methyl-2-quinolyl)thio]-N-(p-tolyl)acetamide Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-16-8-10-18(11-9-16)25(13-5-12-23)22(26)15-27-21-14-17(2)19-6-3-4-7-20(19)24-21/h3-4,6-11,14H,5,13,15H2,1-2H3