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

Systemtic Name: N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: 3,4,5-triethoxy-N-[[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C24H30N4O6S2 MolecularWeight: 534.6482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3

InChI

InChI=1S/C24H30N4O6S2/c1-4-32-19-13-16(14-20(33-5-2)22(19)34-6-3)23(29)27-24(35)26-17-9-7-10-18(15-17)36(30,31)28-21-11-8-12-25-21/h7,9-10,13-15H,4-6,8,11-12H2,1-3H3,(H,25,28)(H2,26,27,29,35)