2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloranyl-4-methyl-phenyl)propanamide

Systemtic Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloranyl-4-methyl-phenyl)propanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloro-4-methyl-phenyl)propanamide CAS Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-chloro-4-methylphenyl)propanamide IUPAC Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)propanamide Traditional Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3-chloro-4-methyl-phenyl)propionamide Formula: C24H28ClN3OS MolecularWeight: 442.01662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N)Cl

InChI

InChI=1S/C24H28ClN3OS/c1-14-6-8-19(12-20(14)25)27-22(29)15(2)30-23-17(13-26)10-16-11-18(24(3,4)5)7-9-21(16)28-23/h6,8,10,12,15,18H,7,9,11H2,1-5H3,(H,27,29)