4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C21H19N5O3S3 MolecularWeight: 485.60226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H19N5O3S3/c1-30-17-5-2-6-18-19(17)24-21(31-18)25-20(27)15-7-9-16(10-8-15)32(28,29)26(13-3-11-22)14-4-12-23/h2,5-10H,3-4,13-14H2,1H3,(H,24,25,27)