N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H25N5O3S2/c1-4-26-20-7-6-18(32(24,29)30)13-19(20)25-22(26)31-14-21(28)27(9-5-8-23)17-11-15(2)10-16(3)12-17/h6-7,10-13H,4-5,9,14H2,1-3H3,(H2,24,29,30)