3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide

Systemtic Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,3-dimethylphenyl)propanamide IUPAC Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,3-dimethylphenyl)propionamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

InChI

InChI=1S/C27H27N3OS/c1-18-7-6-10-24(19(18)2)29-26(31)13-14-32-27-23(17-28)16-22-15-21(11-12-25(22)30-27)20-8-4-3-5-9-20/h3-10,16,21H,11-15H2,1-2H3,(H,29,31)