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

Systemtic Name: N-(3-methylsulfanylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(3-methylsulfanylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-[3-(methylthio)propyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(3-methylsulfanylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-[3-(methylthio)propyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazino]cinchoninamide Formula: C25H27F3N4OS MolecularWeight: 488.56829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27F3N4OS/c1-34-15-5-10-29-24(33)21-17-23(30-22-9-3-2-8-20(21)22)32-13-11-31(12-14-32)19-7-4-6-18(16-19)25(26,27)28/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33)