N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-15-6-3-9-19-16(2)12-20(25-22(15)19)28-14-21(27)26(11-5-10-24)18-8-4-7-17(23)13-18/h3-4,6-9,12-13H,5,11,14H2,1-2H3