4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)C

InChI

InChI=1S/C22H21N5O3S2/c1-15-13-16(2)20-19(14-15)25-22(31-20)26-21(28)17-5-7-18(8-6-17)32(29,30)27(11-3-9-23)12-4-10-24/h5-8,13-14H,3-4,11-12H2,1-2H3,(H,25,26,28)