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

Systemtic Name: 7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-7-fluoranyl-4-oxidanylidene-4aH-quinoline-3-carboxylic acid Openeye Name: 7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-7-fluoro-4-oxo-4aH-quinoline-3-carboxylic acid CAS Name: 7-(4-carbamothioyl-1-piperazinyl)-1-cyclopropyl-7-fluoro-4-oxo-4aH-quinoline-3-carboxylic acid IUPAC Name: 7-(4-carbamothioylpiperazin-1-yl)-1-cyclopropyl-7-fluoro-4-oxo-4aH-quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-fluoro-4-keto-7-(4-thiocarbamoylpiperazino)-4aH-quinoline-3-carboxylic acid Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3C2=CC(C=C3)(N4CCN(CC4)C(=S)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3C2=CC(C=C3)(N4CCN(CC4)C(=S)N)F)C(=O)O

InChI

InChI=1S/C18H21FN4O3S/c19-18(22-7-5-21(6-8-22)17(20)27)4-3-12-14(9-18)23(11-1-2-11)10-13(15(12)24)16(25)26/h3-4,9-12H,1-2,5-8H2,(H2,20,27)(H,25,26)