2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]-N-(4-sulfamoylphenyl)acetamide Formula: C22H22N4O3S3 MolecularWeight: 486.63008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S3/c1-15-5-7-17(8-6-15)25-22(30)26-18-3-2-4-19(13-18)31-14-21(27)24-16-9-11-20(12-10-16)32(23,28)29/h2-13H,14H2,1H3,(H,24,27)(H2,23,28,29)(H2,25,26,30)