1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(phenylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylate CAS Name: 7-[4-[anilino(sulfanylidene)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(phenylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(phenylthiocarbamoyl)piperazino]quinoline-3-carboxylate Formula: C23H22FN4O3S- MolecularWeight: 453.509183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4)F)C(=O)[O-]

InChI

InChI=1S/C23H23FN4O3S/c1-2-26-14-17(22(30)31)21(29)16-12-18(24)20(13-19(16)26)27-8-10-28(11-9-27)23(32)25-15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,25,32)(H,30,31)/p-1