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

Systemtic Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-sulfamoylphenyl)acetamide Formula: C22H22N4O4S3 MolecularWeight: 502.62948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H22N4O4S3/c1-30-20-8-3-2-7-19(20)26-22(31)25-16-5-4-6-17(13-16)32-14-21(27)24-15-9-11-18(12-10-15)33(23,28)29/h2-13H,14H2,1H3,(H,24,27)(H2,23,28,29)(H2,25,26,31)