N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(ethanoylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(acetylsulfamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C16H14N4O6S2 MolecularWeight: 422.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6S2/c1-10(21)19-28(25,26)14-7-5-12(6-8-14)17-16(27)18-15(22)11-3-2-4-13(9-11)20(23)24/h2-9H,1H3,(H,19,21)(H2,17,18,22,27)