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

Systemtic Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

InChI

InChI=1S/C28H29N3OS/c1-3-20-11-7-8-19(2)27(20)31-26(32)14-15-33-28-24(18-29)17-23-16-22(12-13-25(23)30-28)21-9-5-4-6-10-21/h4-11,17,22H,3,12-16H2,1-2H3,(H,31,32)