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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(phenylmethyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-(benzylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(benzylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(benzylthiocarbamoyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H25FN4O3S MolecularWeight: 468.543703

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)NCC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C24H25FN4O3S/c1-2-27-15-18(23(31)32)22(30)17-12-19(25)21(13-20(17)27)28-8-10-29(11-9-28)24(33)26-14-16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,26,33)(H,31,32)