N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide Traditional Name: 2-(benzylthio)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide Formula: C17H17N3O3S3 MolecularWeight: 407.53018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CNS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3S3/c1-18-26(22,23)13-7-8-14-15(9-13)25-17(19-14)20-16(21)11-24-10-12-5-3-2-4-6-12/h2-9,18H,10-11H2,1H3,(H,19,20,21)