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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(4-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(4-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-methoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(4-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(4-carbomethoxyphenyl)thiocarbamoyl]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=CC=C(C=C4)C(=O)OC)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN4O5S/c1-3-28-14-18(23(32)33)22(31)17-12-19(26)21(13-20(17)28)29-8-10-30(11-9-29)25(36)27-16-6-4-15(5-7-16)24(34)35-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,27,36)(H,32,33)