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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H29N3O3S/c1-32-24-13-12-21(18-25(24)33-2)14-16-28-26(31)19-34-27-29-22-10-6-7-11-23(22)30(27)17-15-20-8-4-3-5-9-20/h3-13,18H,14-17,19H2,1-2H3,(H,28,31)