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

Systemtic Name: 7-[4-(1-azanyl-2-sulfanylidene-ethyl)piperazin-2-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1-amino-2-thioxo-ethyl)piperazin-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1-amino-2-sulfanylideneethyl)-2-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1-amino-2-sulfanylideneethyl)piperazin-2-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(1-amino-2-thioxo-ethyl)piperazin-2-yl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H21FN4O3S MolecularWeight: 404.458443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4CN(CCN4)C(C=S)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4CN(CCN4)C(C=S)N)F)C(=O)O

InChI

InChI=1S/C19H21FN4O3S/c20-14-5-12-16(24(10-1-2-10)7-13(18(12)25)19(26)27)6-11(14)15-8-23(4-3-22-15)17(21)9-28/h5-7,9-10,15,17,22H,1-4,8,21H2,(H,26,27)