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

Systemtic Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C22H20N4O5S2 MolecularWeight: 484.548

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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-])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-])C

InChI

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