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

Systemtic Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[[3-(phenylthiocarbamoylamino)phenyl]thio]-N-(4-sulfamoylphenyl)acetamide Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S3/c22-31(27,28)19-11-9-16(10-12-19)23-20(26)14-30-18-8-4-7-17(13-18)25-21(29)24-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,26)(H2,22,27,28)(H2,24,25,29)