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

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(3-methylphenyl)benzimidazole-2-thione Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(m-tolyl)benzimidazole-2-thione CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-(3-methylphenyl)-2-benzimidazolethione IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(3-methylphenyl)benzimidazole-2-thione Traditional Name: 1-(m-tolyl)-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Formula: C27H31N4OS+ MolecularWeight: 459.62624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C5=CC=CC(=C5)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=S)C5=CC=CC(=C5)C

InChI

InChI=1S/C27H30N4OS/c1-3-32-26-14-7-6-13-25(26)29-17-15-28(16-18-29)20-30-23-11-4-5-12-24(23)31(27(30)33)22-10-8-9-21(2)19-22/h4-14,19H,3,15-18,20H2,1-2H3/p+1