7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H25FN4O5S MolecularWeight: 512.553203

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCCO5)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCCO5)F)C(=O)O

InChI

InChI=1S/C25H25FN4O5S/c1-2-28-14-17(24(32)33)23(31)16-12-18(26)20(13-19(16)28)29-5-7-30(8-6-29)25(36)27-15-3-4-21-22(11-15)35-10-9-34-21/h3-4,11-14H,2,5-10H2,1H3,(H,27,36)(H,32,33)