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

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)butanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(p-tolyl)butanamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-methylphenyl)butanamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)butanamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(p-tolyl)butyramide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C)SC2=NC3=C(CC(CC3)C)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C)SC2=NC3=C(CC(CC3)C)C=C2C#N

InChI

InChI=1S/C22H25N3OS/c1-4-20(21(26)24-18-8-5-14(2)6-9-18)27-22-17(13-23)12-16-11-15(3)7-10-19(16)25-22/h5-6,8-9,12,15,20H,4,7,10-11H2,1-3H3,(H,24,26)