7-(4-carbamothioylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-(4-carbamothioylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-(4-carbamothioylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(4-carbamothioyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-(4-carbamothioylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-thiocarbamoylpiperazino)quinoline-3-carboxylate Formula: C17H18FN4O3S- MolecularWeight: 377.413223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)N)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)N)F)C(=O)[O-]

InChI

InChI=1S/C17H19FN4O3S/c1-2-20-9-11(16(24)25)15(23)10-7-12(18)14(8-13(10)20)21-3-5-22(6-4-21)17(19)26/h7-9H,2-6H2,1H3,(H2,19,26)(H,24,25)/p-1