1-ethyl-6,8-bis(fluoranyl)-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[anilino(sulfanylidene)methyl]-3-methyl-1-piperazinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-[3-methyl-4-(phenylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C24H24F2N4O3S MolecularWeight: 486.534166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(C(C3)C)C(=S)NC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(C(C3)C)C(=S)NC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C24H24F2N4O3S/c1-3-28-13-17(23(32)33)22(31)16-11-18(25)21(19(26)20(16)28)29-9-10-30(14(2)12-29)24(34)27-15-7-5-4-6-8-15/h4-8,11,13-14H,3,9-10,12H2,1-2H3,(H,27,34)(H,32,33)