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

Systemtic Name: N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[methyl(phenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[methyl(phenyl)sulfamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C21H17N5O7S2 MolecularWeight: 515.51898

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O7S2/c1-24(16-5-3-2-4-6-16)35(32,33)19-9-7-15(8-10-19)22-21(34)23-20(27)14-11-17(25(28)29)13-18(12-14)26(30)31/h2-13H,1H3,(H2,22,23,27,34)