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

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-phenyl-propionamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)S[C@H](C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3OS/c1-16-9-7-12-20-17(2)15-21(25-22(16)20)28-18(3)23(27)26(14-8-13-24)19-10-5-4-6-11-19/h4-7,9-12,15,18H,8,14H2,1-3H3/t18-/m1/s1