1-cyclopropyl-6-fluoranyl-7-[4-(furan-2-ylcarbonylcarbamothioyl)-3-methyl-piperazin-1-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-(furan-2-ylcarbonylcarbamothioyl)-3-methyl-piperazin-1-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(furan-2-carbonylcarbamothioyl)-3-methyl-piperazin-1-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-methyl-1-piperazinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(furan-2-carbonylcarbamothioyl)-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-(2-furoylthiocarbamoyl)-3-methyl-piperazino]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H25FN4O6S MolecularWeight: 528.552603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC(=O)C2=CC=CO2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1C(=S)NC(=O)C2=CC=CO2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H25FN4O6S/c1-13-11-28(7-8-29(13)25(37)27-23(32)18-4-3-9-36-18)20-17(26)10-15-19(22(20)35-2)30(14-5-6-14)12-16(21(15)31)24(33)34/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,33,34)(H,27,32,37)