N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(2-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4,8-dimethyl-2-quinolyl)thio]-N-(2-fluorophenyl)acetamide Formula: C22H20FN3OS MolecularWeight: 393.477103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C22H20FN3OS/c1-15-7-5-8-17-16(2)13-20(25-22(15)17)28-14-21(27)26(12-6-11-24)19-10-4-3-9-18(19)23/h3-5,7-10,13H,6,12,14H2,1-2H3