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

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-cyanophenyl)butanamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-cyanophenyl)butanamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-cyanophenyl)butyramide Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=C(CC(CC3)C)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=C(CC(CC3)C)C=C2C#N

InChI

InChI=1S/C22H22N4OS/c1-3-20(21(27)25-18-7-5-4-6-15(18)12-23)28-22-17(13-24)11-16-10-14(2)8-9-19(16)26-22/h4-7,11,14,20H,3,8-10H2,1-2H3,(H,25,27)