7-[(4-chlorophenyl)carbonylcarbamothioylamino]-1-ethyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4-chlorophenyl)carbonylcarbamothioylamino]-1-ethyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4-chlorobenzoyl)carbamothioylamino]-1-ethyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4-chlorobenzoyl)carbamothioylamino]-1-ethyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4-chlorobenzoyl)thiocarbamoylamino]-1-ethyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H17ClFN3O5S MolecularWeight: 477.893183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClFN3O5S/c1-3-26-9-13(20(29)30)17(27)12-8-14(23)15(18(31-2)16(12)26)24-21(32)25-19(28)10-4-6-11(22)7-5-10/h4-9H,3H2,1-2H3,(H,29,30)(H2,24,25,28,32)