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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C27H29FN4O7S MolecularWeight: 572.605163

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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)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)OC)F)C(=O)O

InChI

InChI=1S/C27H29FN4O7S/c1-5-30-14-17(26(35)36)23(33)16-12-18(28)20(13-19(16)30)31-6-8-32(9-7-31)27(40)29-25(34)15-10-21(37-2)24(39-4)22(11-15)38-3/h10-14H,5-9H2,1-4H3,(H,35,36)(H,29,34,40)