1-(4-chlorophenyl)-3-[[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[[1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[[1-ethyl-4-keto-6-(trifluoromethyl)quinoline-3-carbonyl]amino]thiourea Formula: C20H16ClF3N4O2S MolecularWeight: 468.87985

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClF3N4O2S/c1-2-28-10-15(17(29)14-9-11(20(22,23)24)3-8-16(14)28)18(30)26-27-19(31)25-13-6-4-12(21)5-7-13/h3-10H,2H2,1H3,(H,26,30)(H2,25,27,31)