1-(4-methoxyphenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione

Systemtic Name: 1-(4-methoxyphenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-(4-methoxyphenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-(4-methoxyphenyl)-3-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-(4-methoxyphenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1-(4-methoxyphenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C26H28N4O2S/c1-31-21-13-11-20(12-14-21)30-23-8-4-3-7-22(23)29(26(30)33)19-27-15-17-28(18-16-27)24-9-5-6-10-25(24)32-2/h3-14H,15-19H2,1-2H3/p+1