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

Systemtic Name: 1-propan-2-yl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-isopropyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione CAS Name: 1-propan-2-yl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-propan-2-yl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-isopropyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C19H25N6S+ MolecularWeight: 369.507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H24N6S/c1-15(2)25-17-7-4-3-6-16(17)24(19(25)26)14-22-10-12-23(13-11-22)18-20-8-5-9-21-18/h3-9,15H,10-14H2,1-2H3/p+1