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

Systemtic Name: N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-phenyl-acetamide Formula: C22H21N3OS MolecularWeight: 375.48664

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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

Isomeric SMILES

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

InChI

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