3,5-dinitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[(4-sulfamoylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[(4-sulfamoylphenyl)thiocarbamoyl]benzamide Formula: C14H11N5O7S2 MolecularWeight: 425.39644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C14H11N5O7S2/c15-28(25,26)12-3-1-9(2-4-12)16-14(27)17-13(20)8-5-10(18(21)22)7-11(6-8)19(23)24/h1-7H,(H2,15,25,26)(H2,16,17,20,27)