N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[(2,6-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(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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