4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C21H19N5O3S3 MolecularWeight: 485.60226

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H19N5O3S3/c1-30-21-25-18-9-6-16(14-19(18)31-21)24-20(27)15-4-7-17(8-5-15)32(28,29)26(12-2-10-22)13-3-11-23/h4-9,14H,2-3,12-13H2,1H3,(H,24,27)