7-[4-[(3,4-dimethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(3,4-dimethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(3,4-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(3,4-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(veratroylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C26H27FN4O6S MolecularWeight: 542.579183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)F)C(=O)O

InChI

InChI=1S/C26H27FN4O6S/c1-4-29-14-17(25(34)35)23(32)16-12-18(27)20(13-19(16)29)30-7-9-31(10-8-30)26(38)28-24(33)15-5-6-21(36-2)22(11-15)37-3/h5-6,11-14H,4,7-10H2,1-3H3,(H,34,35)(H,28,33,38)