2-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-7-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-7-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-7-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-(4-carbamothioyl-1-piperazinyl)-1-cyclopropyl-7-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-fluoro-4-keto-2-(4-thiocarbamoylpiperazino)quinoline-3-carboxylic acid Formula: C18H19FN4O3S MolecularWeight: 390.431863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=CC(=C3)F)C(=O)C(=C2N4CCN(CC4)C(=S)N)C(=O)O

Isomeric SMILES

C1CC1N2C3=C(C=CC(=C3)F)C(=O)C(=C2N4CCN(CC4)C(=S)N)C(=O)O

InChI

InChI=1S/C18H19FN4O3S/c19-10-1-4-12-13(9-10)23(11-2-3-11)16(14(15(12)24)17(25)26)21-5-7-22(8-6-21)18(20)27/h1,4,9,11H,2-3,5-8H2,(H2,20,27)(H,25,26)