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

Systemtic Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCSC2=NC3=C(CC(CC3)C)C=C2C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCSC2=NC3=C(CC(CC3)C)C=C2C#N)C

InChI

InChI=1S/C23H27N3OS/c1-4-17-7-5-6-16(3)22(17)26-21(27)10-11-28-23-19(14-24)13-18-12-15(2)8-9-20(18)25-23/h5-7,13,15H,4,8-12H2,1-3H3,(H,26,27)