N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]-N-p-phenetyl-acetamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3N2CCOC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3N2CCOC

InChI

InChI=1S/C23H26N4O3S/c1-3-30-19-11-9-18(10-12-19)26(14-6-13-24)22(28)17-31-23-25-20-7-4-5-8-21(20)27(23)15-16-29-2/h4-5,7-12H,3,6,14-17H2,1-2H3