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

Systemtic Name: 7-[4-(3-azanylidene-1-sulfanyl-1-sulfanylidene-propan-2-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(1-methanimidoyl-2-sulfanyl-2-thioxo-ethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(3-imino-1-mercapto-1-sulfanylidenepropan-2-yl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(3-imino-1-sulfanyl-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-(1-formimidoyl-2-mercapto-2-thioxo-ethyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C20H21FN4O3S2 MolecularWeight: 448.534143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4O3S2/c21-14-7-12-15(25(11-1-2-11)10-13(18(12)26)19(27)28)8-16(14)23-3-5-24(6-4-23)17(9-22)20(29)30/h7-11,17,22H,1-6H2,(H,27,28)(H,29,30)