2-[7-[4-(2-azanylideneethanethioyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinolin-1-yl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[7-[4-(2-azanylideneethanethioyl)piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinolin-1-yl]cyclopropane-1-carboxylic acid Openeye Name: 2-[6-fluoro-7-[4-(2-iminoethanethioyl)piperazin-1-yl]-4-oxo-1-quinolyl]cyclopropanecarboxylic acid CAS Name: 2-[6-fluoro-7-[4-(2-imino-1-sulfanylideneethyl)-1-piperazinyl]-4-oxo-1-quinolinyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[6-fluoro-7-[4-(2-iminoethanethioyl)piperazin-1-yl]-4-oxoquinolin-1-yl]cyclopropane-1-carboxylic acid Traditional Name: 2-[6-fluoro-7-[4-(2-iminothioacetyl)piperazino]-4-keto-1-quinolyl]cyclopropanecarboxylic acid Formula: C19H19FN4O3S MolecularWeight: 402.442563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C3C(=O)C=CN(C3=C2)C4CC4C(=O)O)F)C(=S)C=N

Isomeric SMILES

C1CN(CCN1C2=C(C=C3C(=O)C=CN(C3=C2)C4CC4C(=O)O)F)C(=S)C=N

InChI

InChI=1S/C19H19FN4O3S/c20-13-7-11-15(24(2-1-17(11)25)14-8-12(14)19(26)27)9-16(13)22-3-5-23(6-4-22)18(28)10-21/h1-2,7,9-10,12,14,21H,3-6,8H2,(H,26,27)