2-[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C22H17ClF3N3O2S MolecularWeight: 479.90249

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=CC=C4Cl)C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=CC=C4Cl)C(F)(F)F

InChI

InChI=1S/C22H17ClF3N3O2S/c23-16-6-3-5-15(22(24,25)26)20(16)29-18(30)11-32-19-10-14(21(31)27-12-8-9-12)13-4-1-2-7-17(13)28-19/h1-7,10,12H,8-9,11H2,(H,27,31)(H,29,30)