4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-homoveratryl-benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)OC

InChI

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