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

Systemtic Name: N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(dimethylsulfamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H15N5O7S2 MolecularWeight: 453.4496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O7S2/c1-19(2)30(27,28)14-5-3-11(4-6-14)17-16(29)18-15(22)10-7-12(20(23)24)9-13(8-10)21(25)26/h3-9H,1-2H3,(H2,17,18,22,29)