1-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(phenylmethyl)imidazole-2-thione

Systemtic Name: 1-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-(phenylmethyl)imidazole-2-thione Openeye Name: 1-benzyl-3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazole-2-thione CAS Name: 1-[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-(phenylmethyl)-2-imidazolethione IUPAC Name: 1-benzyl-3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]imidazole-2-thione Traditional Name: 1-benzyl-3-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-imidazoline-2-thione Formula: C23H29N4O4S2+ MolecularWeight: 489.63076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CN3C=CN(C3=S)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CN3C=CN(C3=S)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O4S2/c1-30-20-8-9-21(31-2)22(16-20)33(28,29)27-14-10-24(11-15-27)18-26-13-12-25(23(26)32)17-19-6-4-3-5-7-19/h3-9,12-13,16H,10-11,14-15,17-18H2,1-2H3/p+1