N-(1-cyanocyclopentyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C22H22N4O2S/c1-28-17-10-8-16(9-11-17)26-19-7-3-2-6-18(19)24-21(26)29-14-20(27)25-22(15-23)12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3,(H,25,27)