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

Systemtic Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 4-ethoxy-N-[[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H23N4O4S2+ MolecularWeight: 447.55102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C20H22N4O4S2/c1-2-28-16-10-8-14(9-11-16)19(25)23-20(29)22-15-5-3-6-17(13-15)30(26,27)24-18-7-4-12-21-18/h3,5-6,8-11,13H,2,4,7,12H2,1H3,(H,21,24)(H2,22,23,25,29)/p+1