2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-N-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-N-[2-(trifluoromethyl)phenyl]cinchoninamide Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H18F3N3O2S/c23-22(24,25)16-6-2-4-8-18(16)28-21(30)15-11-20(27-17-7-3-1-5-14(15)17)31-12-19(29)26-13-9-10-13/h1-8,11,13H,9-10,12H2,(H,26,29)(H,28,30)