1-ethyl-6-fluoranyl-7-[4-[(2-iodanylphenyl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(2-iodanylphenyl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(2-iodobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[[(2-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(2-iodobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[(2-iodobenzoyl)thiocarbamoyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C24H22FIN4O4S MolecularWeight: 608.423753

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)NC(=O)C4=CC=CC=C4I)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4I)F)C(=O)O

InChI

InChI=1S/C24H22FIN4O4S/c1-2-28-13-16(23(33)34)21(31)15-11-17(25)20(12-19(15)28)29-7-9-30(10-8-29)24(35)27-22(32)14-5-3-4-6-18(14)26/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)