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

Systemtic Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H25FN4O5S MolecularWeight: 524.563903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC5=CC6=C(C=C5)OCCO6)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC5=CC6=C(C=C5)OCCO6)F)C(=O)O

InChI

InChI=1S/C26H25FN4O5S/c27-19-12-17-20(31(16-2-3-16)14-18(24(17)32)25(33)34)13-21(19)29-5-7-30(8-6-29)26(37)28-15-1-4-22-23(11-15)36-10-9-35-22/h1,4,11-14,16H,2-3,5-10H2,(H,28,37)(H,33,34)