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

Systemtic Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N)C

InChI

InChI=1S/C22H25N3OS/c1-3-16-9-6-7-15(2)21(16)25-20(26)11-12-27-22-18(14-23)13-17-8-4-5-10-19(17)24-22/h6-7,9,13H,3-5,8,10-12H2,1-2H3,(H,25,26)