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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c1-13-6-7-19-15(10-13)11-16(12-23)21(25-19)27-9-8-20(26)24-18-5-3-4-17(22)14(18)2/h3-5,11,13H,6-10H2,1-2H3,(H,24,26)