8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[3-(methylcarbamothioylamino)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[3-(methylcarbamothioylamino)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-(methylcarbamothioylamino)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-[[methylamino(sulfanylidene)methyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[3-(methylcarbamothioylamino)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[3-(methylthiocarbamoylamino)pyrrolidino]quinoline-3-carboxylic acid Formula: C19H20ClFN4O3S MolecularWeight: 438.903503

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CNC(=S)NC1CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H20ClFN4O3S/c1-22-19(29)23-9-4-5-24(7-9)16-13(21)6-11-15(14(16)20)25(10-2-3-10)8-12(17(11)26)18(27)28/h6,8-10H,2-5,7H2,1H3,(H,27,28)(H2,22,23,29)