N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C22H20N4O5S2 MolecularWeight: 484.548

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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-]

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-]

InChI

InChI=1S/C22H20N4O5S2/c1-14-6-5-7-15(2)20(14)25-33(30,31)17-12-10-16(11-13-17)23-22(32)24-21(27)18-8-3-4-9-19(18)26(28)29/h3-13,25H,1-2H3,(H2,23,24,27,32)