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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27F3N4OS/c1-2-34-15-10-29-24(33)21-17-23(30-22-9-4-3-8-20(21)22)32-13-11-31(12-14-32)19-7-5-6-18(16-19)25(26,27)28/h3-9,16-17H,2,10-15H2,1H3,(H,29,33)