N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-methyl-2-quinolyl)sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(4-methyl-2-quinolinyl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(4-methyl-2-quinolyl)thio]-N-phenyl-propionamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

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