4-[(2,5-dimethylphenyl)carbamothioylamino]-N-(3-sulfamoylphenyl)benzamide

Systemtic Name: 4-[(2,5-dimethylphenyl)carbamothioylamino]-N-(3-sulfamoylphenyl)benzamide Openeye Name: 4-[(2,5-dimethylphenyl)carbamothioylamino]-N-(3-sulfamoylphenyl)benzamide CAS Name: 4-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-N-(3-sulfamoylphenyl)benzamide IUPAC Name: 4-[(2,5-dimethylphenyl)carbamothioylamino]-N-(3-sulfamoylphenyl)benzamide Traditional Name: 4-[(2,5-dimethylphenyl)thiocarbamoylamino]-N-(3-sulfamoylphenyl)benzamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C22H22N4O3S2/c1-14-6-7-15(2)20(12-14)26-22(30)25-17-10-8-16(9-11-17)21(27)24-18-4-3-5-19(13-18)31(23,28)29/h3-13H,1-2H3,(H,24,27)(H2,23,28,29)(H2,25,26,30)