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

Systemtic Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiocarbamoyl]-2-furamide Formula: C16H17N4O4S2+ MolecularWeight: 393.46058

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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=CO3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H16N4O4S2/c21-15(13-6-3-9-24-13)19-16(25)18-11-4-1-5-12(10-11)26(22,23)20-14-7-2-8-17-14/h1,3-6,9-10H,2,7-8H2,(H,17,20)(H2,18,19,21,25)/p+1