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

Systemtic Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H19N5O7S2 MolecularWeight: 529.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C22H19N5O7S2/c1-13-3-4-17(9-14(13)2)25-36(33,34)20-7-5-16(6-8-20)23-22(35)24-21(28)15-10-18(26(29)30)12-19(11-15)27(31)32/h3-12,25H,1-2H3,(H2,23,24,28,35)