N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-2-(furan-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-2-(furan-2-yl)quinoline-4-carboxamide Openeye Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-2-(2-furyl)quinoline-4-carboxamide CAS Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]-2-(2-furanyl)-4-quinolinecarboxamide IUPAC Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-2-(furan-2-yl)quinoline-4-carboxamide Traditional Name: 2-(2-furyl)-N-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiocarbamoyl]cinchoninamide Formula: C25H22N5O4S2+ MolecularWeight: 520.60328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C25H21N5O4S2/c31-24(19-15-21(22-10-5-13-34-22)28-20-9-2-1-8-18(19)20)29-25(35)27-16-6-3-7-17(14-16)36(32,33)30-23-11-4-12-26-23/h1-3,5-10,13-15H,4,11-12H2,(H,26,30)(H2,27,29,31,35)/p+1