N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H24N4O2S/c1-4-28-18-6-7-19-20(13-18)25-22(24-19)29-14-21(27)26(9-5-8-23)17-11-15(2)10-16(3)12-17/h6-7,10-13H,4-5,9,14H2,1-3H3,(H,24,25)