1,3-bis[[4-(phenylmethyl)piperazin-1-yl]methyl]benzimidazole-2-thione

Systemtic Name: 1,3-bis[[4-(phenylmethyl)piperazin-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1,3-bis[(4-benzylpiperazin-1-yl)methyl]benzimidazole-2-thione CAS Name: 1,3-bis[[4-(phenylmethyl)-1-piperazinyl]methyl]-2-benzimidazolethione IUPAC Name: 1,3-bis[(4-benzylpiperazin-1-yl)methyl]benzimidazole-2-thione Traditional Name: 1,3-bis[(4-benzylpiperazino)methyl]benzimidazole-2-thione Formula: C31H38N6S MolecularWeight: 526.73862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C4=CC=CC=C4N(C3=S)CN5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C4=CC=CC=C4N(C3=S)CN5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C31H38N6S/c38-31-36(25-34-19-15-32(16-20-34)23-27-9-3-1-4-10-27)29-13-7-8-14-30(29)37(31)26-35-21-17-33(18-22-35)24-28-11-5-2-6-12-28/h1-14H,15-26H2