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

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C22H21N3O2S/c1-16-14-21(24-18-9-4-3-8-17(16)18)28-15-22(26)25(13-7-12-23)19-10-5-6-11-20(19)27-2/h3-6,8-11,14H,7,13,15H2,1-2H3