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

Systemtic Name: 4-bromanyl-N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C18H17BrN4O3S2 MolecularWeight: 481.38658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4O3S2/c19-13-8-6-12(7-9-13)17(24)22-18(27)21-14-3-1-4-15(11-14)28(25,26)23-16-5-2-10-20-16/h1,3-4,6-9,11H,2,5,10H2,(H,20,23)(H2,21,22,24,27)