7-[(2,4-dichlorophenyl)carbonylcarbamothioylamino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(2,4-dichlorophenyl)carbonylcarbamothioylamino]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(2,4-dichlorobenzoyl)carbamothioylamino]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(2,4-dichlorobenzoyl)carbamothioylamino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(2,4-dichlorobenzoyl)thiocarbamoylamino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H14Cl2FN3O4S MolecularWeight: 482.312263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl)F)C(=O)O

InChI

InChI=1S/C20H14Cl2FN3O4S/c1-2-26-8-12(19(29)30)17(27)11-6-14(23)15(7-16(11)26)24-20(31)25-18(28)10-4-3-9(21)5-13(10)22/h3-8H,2H2,1H3,(H,29,30)(H2,24,25,28,31)