7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-carbamothioyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-thiocarbamoylpiperazino)quinoline-3-carboxylic acid Formula: C18H19FN4O3S MolecularWeight: 390.431863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O3S/c19-13-7-11-14(8-15(13)21-3-5-22(6-4-21)18(20)27)23(10-1-2-10)9-12(16(11)24)17(25)26/h7-10H,1-6H2,(H2,20,27)(H,25,26)