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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propionamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c1-13-3-6-19-15(9-13)10-16(12-23)21(25-19)27-8-7-20(26)24-17-5-4-14(2)18(22)11-17/h4-5,10-11,13H,3,6-9H2,1-2H3,(H,24,26)