N-(2-methylcyclohexyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2-methylcyclohexyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2-methylcyclohexyl)-2-[2-(trifluoromethyl)phenyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-(2-methylcyclohexyl)-2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxamide IUPAC Name: N-(2-methylcyclohexyl)-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide Traditional Name: N-(2-methylcyclohexyl)-2-[[2-(trifluoromethyl)phenyl]thio]cinchoninamide Formula: C24H23F3N2OS MolecularWeight: 444.51243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C24H23F3N2OS/c1-15-8-2-5-11-19(15)29-23(30)17-14-22(28-20-12-6-3-9-16(17)20)31-21-13-7-4-10-18(21)24(25,26)27/h3-4,6-7,9-10,12-15,19H,2,5,8,11H2,1H3,(H,29,30)