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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H19N5O3S2/c1-15-4-9-18-19(14-15)30-21(24-18)25-20(27)16-5-7-17(8-6-16)31(28,29)26(12-2-10-22)13-3-11-23/h4-9,14H,2-3,12-13H2,1H3,(H,24,25,27)