N-[(3,4-dimethoxyphenyl)methyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-veratryl-acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-4-11-24-17-8-6-5-7-16(17)23-21(24)28-14-20(25)22-13-15-9-10-18(26-2)19(12-15)27-3/h4-10,12H,1,11,13-14H2,2-3H3,(H,22,25)