N-(2-methylsulfanylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(2-methylsulfanylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(2-methylsulfanylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-[2-(methylthio)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(2-methylsulfanylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-[2-(methylthio)ethyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C24H25F3N4OS MolecularWeight: 474.54171

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CSCCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H25F3N4OS/c1-33-14-9-28-23(32)20-16-22(29-21-8-3-2-7-19(20)21)31-12-10-30(11-13-31)18-6-4-5-17(15-18)24(25,26)27/h2-8,15-16H,9-14H2,1H3,(H,28,32)