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

Systemtic Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-chlorophenyl)propanamide Openeye Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-chlorophenyl)propanamide CAS Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-chlorophenyl)propanamide IUPAC Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-chlorophenyl)propanamide Traditional Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-chlorophenyl)propionamide Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C23H26ClN3OS/c1-23(2,3)17-4-9-20-15(13-17)12-16(14-25)22(27-20)29-11-10-21(28)26-19-7-5-18(24)6-8-19/h5-8,12,17H,4,9-11,13H2,1-3H3,(H,26,28)