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

Systemtic Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]ethanamide Openeye Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]acetamide CAS Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]acetamide Traditional Name: N-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiocarbamoyl]acetamide Formula: C13H17N4O3S2+ MolecularWeight: 341.42908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2

Isomeric SMILES

CC(=O)NC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2

InChI

InChI=1S/C13H16N4O3S2/c1-9(18)15-13(21)16-10-4-2-5-11(8-10)22(19,20)17-12-6-3-7-14-12/h2,4-5,8H,3,6-7H2,1H3,(H,14,17)(H2,15,16,18,21)/p+1