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

Systemtic Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(p-tolyl)propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCCC(=O)NC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C21H23N3OS/c1-14-3-6-18(7-4-14)23-20(25)9-10-26-21-17(13-22)12-16-11-15(2)5-8-19(16)24-21/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,23,25)