N-[(3-methoxyphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-m-anisyl-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C25H19F3N2O2S MolecularWeight: 468.49077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H19F3N2O2S/c1-32-17-8-6-7-16(13-17)15-29-24(31)19-14-23(30-21-11-4-2-9-18(19)21)33-22-12-5-3-10-20(22)25(26,27)28/h2-14H,15H2,1H3,(H,29,31)