2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-ethyl-amino]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-ethyl-amino]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl-ethyl-amino]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[2-chloro-7-(methylthio)-3-quinolyl]methyl-ethyl-amino]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C22H21ClF3N3OS MolecularWeight: 467.93485

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCN(CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H21ClF3N3OS/c1-3-29(13-20(30)27-18-7-5-4-6-17(18)22(24,25)26)12-15-10-14-8-9-16(31-2)11-19(14)28-21(15)23/h4-11H,3,12-13H2,1-2H3,(H,27,30)