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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CNS(=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/c27-20(15-10-17(25(28)29)12-18(11-15)26(30)31)24-21(34)23-16-6-8-19(9-7-16)35(32,33)22-13-14-4-2-1-3-5-14/h1-12,22H,13H2,(H2,23,24,27,34)