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

Systemtic Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloranyl-2-methyl-phenyl)propanamide Openeye Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C24H28ClN3OS MolecularWeight: 442.01662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCSC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C24H28ClN3OS/c1-15-19(25)6-5-7-20(15)27-22(29)10-11-30-23-17(14-26)12-16-13-18(24(2,3)4)8-9-21(16)28-23/h5-7,12,18H,8-11,13H2,1-4H3,(H,27,29)