1-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 1-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-phenyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-phenyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-phenyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C22H23N6S+ MolecularWeight: 403.52322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N(C2=S)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N(C2=S)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C22H22N6S/c29-22-27(17-25-13-15-26(16-14-25)21-23-11-6-12-24-21)19-9-4-5-10-20(19)28(22)18-7-2-1-3-8-18/h1-12H,13-17H2/p+1