5-chloranyl-1-(phenylmethyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazole-2-thione

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazole-2-thione Openeye Name: 1-benzyl-5-chloro-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazole-2-thione CAS Name: 5-chloro-1-(phenylmethyl)-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-benzimidazolethione IUPAC Name: 1-benzyl-5-chloro-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1-benzyl-5-chloro-3-[[4-(2-pyrimidyl)piperazino]methyl]benzimidazole-2-thione Formula: C23H23ClN6S MolecularWeight: 450.98692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=CC(=C3)Cl)N(C2=S)CC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=CC(=C3)Cl)N(C2=S)CC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C23H23ClN6S/c24-19-7-8-20-21(15-19)30(23(31)29(20)16-18-5-2-1-3-6-18)17-27-11-13-28(14-12-27)22-25-9-4-10-26-22/h1-10,15H,11-14,16-17H2