7-[(4-ethoxyphenyl)carbonylcarbamothioylamino]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4-ethoxyphenyl)carbonylcarbamothioylamino]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4-ethoxybenzoyl)carbamothioylamino]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4-ethoxybenzoyl)carbamothioylamino]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4-ethoxybenzoyl)thiocarbamoylamino]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H19F2N3O5S MolecularWeight: 475.465166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F2N3O5S/c1-3-27-10-14(21(30)31)19(28)13-9-15(23)17(16(24)18(13)27)25-22(33)26-20(29)11-5-7-12(8-6-11)32-4-2/h5-10H,3-4H2,1-2H3,(H,30,31)(H2,25,26,29,33)