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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(4-propoxybenzoyl)carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(4-propoxybenzoyl)thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C27H29FN4O5S MolecularWeight: 540.606363

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)CC)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)CC)F

InChI

InChI=1S/C27H29FN4O5S/c1-3-13-37-18-7-5-17(6-8-18)25(34)29-27(38)32-11-9-31(10-12-32)23-15-22-19(14-21(23)28)24(33)20(26(35)36)16-30(22)4-2/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,35,36)(H,29,34,38)