1-methyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole-2-thione

Systemtic Name: 1-methyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-methyl-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-methyl-3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-methyl-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1-methyl-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C21H25N4O2S2+ MolecularWeight: 429.5788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S2/c1-22-19-9-5-6-10-20(19)25(21(22)28)17-23-12-14-24(15-13-23)29(26,27)16-11-18-7-3-2-4-8-18/h2-11,16H,12-15,17H2,1H3/p+1/b16-11+