1,3-bis[(4-ethylpiperazin-4-ium-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 1,3-bis[(4-ethylpiperazin-4-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1,3-bis[(4-ethylpiperazin-4-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1,3-bis[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-benzimidazolethione IUPAC Name: 1,3-bis[(4-ethylpiperazin-4-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1,3-bis[(4-ethylpiperazin-4-ium-1-yl)methyl]benzimidazole-2-thione Formula: C21H36N6S+2 MolecularWeight: 404.61574

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C3=CC=CC=C3N(C2=S)CN4CC[NH+](CC4)CC

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C3=CC=CC=C3N(C2=S)CN4CC[NH+](CC4)CC

InChI

InChI=1S/C21H34N6S/c1-3-22-9-13-24(14-10-22)17-26-19-7-5-6-8-20(19)27(21(26)28)18-25-15-11-23(4-2)12-16-25/h5-8H,3-4,9-18H2,1-2H3/p+2