1-cyclopropyl-6-fluoranyl-7-[4-[2-(2-methoxyethoxy)ethylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[2-(2-methoxyethoxy)ethylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(2-methoxyethoxy)ethylcarbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[[2-(2-methoxyethoxy)ethylamino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(2-methoxyethoxy)ethylcarbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[2-(2-methoxyethoxy)ethylthiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C23H29FN4O5S MolecularWeight: 492.563563

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCCNC(=S)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

COCCOCCNC(=S)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C23H29FN4O5S/c1-32-10-11-33-9-4-25-23(34)27-7-5-26(6-8-27)20-13-19-16(12-18(20)24)21(29)17(22(30)31)14-28(19)15-2-3-15/h12-15H,2-11H2,1H3,(H,25,34)(H,30,31)