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

Systemtic Name: 1-cyclopropyl-7-[4-(dimethylcarbamothioyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(dimethylcarbamothioyl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[dimethylamino(sulfanylidene)methyl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(dimethylcarbamothioyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(dimethylthiocarbamoyl)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H23FN4O3S MolecularWeight: 418.485023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O3S/c1-22(2)20(29)24-7-5-23(6-8-24)17-10-16-13(9-15(17)21)18(26)14(19(27)28)11-25(16)12-3-4-12/h9-12H,3-8H2,1-2H3,(H,27,28)