N-(2,4-dimethoxyphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-30-19-12-13-21(23(16-19)31-2)26-24(29)17-32-25-27-20-10-6-7-11-22(20)28(25)15-14-18-8-4-3-5-9-18/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)