7-[4-(1,3-benzodioxol-5-ylcarbonylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylcarbonylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzodioxole-5-carbonylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[4-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[4-(1,3-benzodioxole-5-carbonylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(piperonyloylthiocarbamoyl)piperazino]-1,8-naphthyridine-3-carboxylic acid Formula: C24H22FN5O6S MolecularWeight: 527.524783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC5=C(C=C4)OCO5)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC5=C(C=C4)OCO5)F)C(=O)O

InChI

InChI=1S/C24H22FN5O6S/c1-2-28-11-15(23(33)34)19(31)14-10-16(25)21(26-20(14)28)29-5-7-30(8-6-29)24(37)27-22(32)13-3-4-17-18(9-13)36-12-35-17/h3-4,9-11H,2,5-8,12H2,1H3,(H,33,34)(H,27,32,37)