2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloranyl-N-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyridin-4-amine

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloranyl-N-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyridin-4-amine Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-chloro-N-methyl-pyridin-4-amine CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-N-methyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4-pyridinamine IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-chloro-N-methylpyridin-4-amine Traditional Name: [2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-4-pyridyl]-[2-(4-benzylpiperazino)ethyl]-methyl-amine Formula: C27H31ClN6S MolecularWeight: 507.09324

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)CC2=CC=CC=C2)C3=C(C(=NC=C3)CSC4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

CN(CCN1CCN(CC1)CC2=CC=CC=C2)C3=C(C(=NC=C3)CSC4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C27H31ClN6S/c1-32(13-14-33-15-17-34(18-16-33)19-21-7-3-2-4-8-21)25-11-12-29-24(26(25)28)20-35-27-30-22-9-5-6-10-23(22)31-27/h2-12H,13-20H2,1H3,(H,30,31)