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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[methylamino(sulfanylidene)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(methylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC)F)C(=O)O

InChI

InChI=1S/C18H21FN4O3S/c1-3-21-10-12(17(25)26)16(24)11-8-13(19)15(9-14(11)21)22-4-6-23(7-5-22)18(27)20-2/h8-10H,3-7H2,1-2H3,(H,20,27)(H,25,26)