N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-N-homoveratryl-acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=CN2CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=CN2CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-19-9-8-17(14-20(19)28-2)10-11-23-21(26)16-29-22-24-12-13-25(22)15-18-6-4-3-5-7-18/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,23,26)