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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(naphthalen-1-ylcarbamothioyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(1-naphthylcarbamothioyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(1-naphthalenylamino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(naphthalen-1-ylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(1-naphthylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C27H25FN4O3S MolecularWeight: 504.575803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC5=CC=CC=C54)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC5=CC=CC=C54)F)C(=O)O

InChI

InChI=1S/C27H25FN4O3S/c1-2-30-16-20(26(34)35)25(33)19-14-21(28)24(15-23(19)30)31-10-12-32(13-11-31)27(36)29-22-9-5-7-17-6-3-4-8-18(17)22/h3-9,14-16H,2,10-13H2,1H3,(H,29,36)(H,34,35)