7-[4-(2-azanylideneethanethioyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-azanylideneethanethioyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(2-iminoethanethioyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(2-imino-1-sulfanylideneethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(2-iminoethanethioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-(2-iminothioacetyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C19H19FN4O3S MolecularWeight: 402.442563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)C=N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)C=N)F)C(=O)O

InChI

InChI=1S/C19H19FN4O3S/c20-14-7-12-15(24(11-1-2-11)10-13(18(12)25)19(26)27)8-16(14)22-3-5-23(6-4-22)17(28)9-21/h7-11,21H,1-6H2,(H,26,27)