N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-homoveratryl-2-[[1-(2-keto-2-pyrrolidino-ethyl)benzimidazol-2-yl]thio]acetamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCC4)OC

InChI

InChI=1S/C25H30N4O4S/c1-32-21-10-9-18(15-22(21)33-2)11-12-26-23(30)17-34-25-27-19-7-3-4-8-20(19)29(25)16-24(31)28-13-5-6-14-28/h3-4,7-10,15H,5-6,11-14,16-17H2,1-2H3,(H,26,30)