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

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenyl-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]-N-(4-sulfamoylphenyl)acetamide Formula: C28H26N4O3S3 MolecularWeight: 562.72604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C28H26N4O3S3/c1-19-10-12-22(13-11-19)31-28(36)32-23-8-5-9-24(18-23)37-26(20-6-3-2-4-7-20)27(33)30-21-14-16-25(17-15-21)38(29,34)35/h2-18,26H,1H3,(H,30,33)(H2,29,34,35)(H2,31,32,36)