7-[4-[(3,5-dimethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(3,5-dimethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(3,5-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(3,5-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(3,5-dimethoxybenzoyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-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(=CC(=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(=CC(=C4)OC)OC)F)C(=O)O

InChI

InChI=1S/C26H27FN4O6S/c1-4-29-14-19(25(34)35)23(32)18-12-20(27)22(13-21(18)29)30-5-7-31(8-6-30)26(38)28-24(33)15-9-16(36-2)11-17(10-15)37-3/h9-14H,4-8H2,1-3H3,(H,34,35)(H,28,33,38)