1-cyclopropyl-7-(1-ethylpiperazin-2-yl)-6-fluoranyl-4-sulfanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(1-ethylpiperazin-2-yl)-6-fluoranyl-4-sulfanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(1-ethylpiperazin-2-yl)-6-fluoro-4-thioxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(1-ethyl-2-piperazinyl)-6-fluoro-4-sulfanylidene-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(1-ethylpiperazin-2-yl)-6-fluoro-4-sulfanylidenequinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(1-ethylpiperazin-2-yl)-6-fluoro-4-thioxo-quinoline-3-carboxylic acid Formula: C19H22FN3O2S MolecularWeight: 375.460283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCNCC1C2=C(C=C3C(=C2)N(C=C(C3=S)C(=O)O)C4CC4)F

Isomeric SMILES

CCN1CCNCC1C2=C(C=C3C(=C2)N(C=C(C3=S)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H22FN3O2S/c1-2-22-6-5-21-9-17(22)12-8-16-13(7-15(12)20)18(26)14(19(24)25)10-23(16)11-3-4-11/h7-8,10-11,17,21H,2-6,9H2,1H3,(H,24,25)