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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-methyl-4-(methylcarbamothioyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[methylamino(sulfanylidene)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(methylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-methyl-4-(methylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC1CN(CCN1C(=S)NC)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H25FN4O4S/c1-11-9-24(6-7-25(11)21(31)23-2)17-15(22)8-13-16(19(17)30-3)26(12-4-5-12)10-14(18(13)27)20(28)29/h8,10-12H,4-7,9H2,1-3H3,(H,23,31)(H,28,29)