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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloranyl-N-methyl-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]pyridin-4-amine Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(4-benzyl-1-piperidyl)propyl]-3-chloro-N-methyl-pyridin-4-amine CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-N-methyl-N-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-4-pyridinamine IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(4-benzylpiperidin-1-yl)propyl]-3-chloro-N-methylpyridin-4-amine Traditional Name: [2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-4-pyridyl]-[3-(4-benzylpiperidino)propyl]-methyl-amine Formula: C29H34ClN5S MolecularWeight: 520.13176

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC(CC1)CC2=CC=CC=C2)C3=C(C(=NC=C3)CSC4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

CN(CCCN1CCC(CC1)CC2=CC=CC=C2)C3=C(C(=NC=C3)CSC4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C29H34ClN5S/c1-34(16-7-17-35-18-13-23(14-19-35)20-22-8-3-2-4-9-22)27-12-15-31-26(28(27)30)21-36-29-32-24-10-5-6-11-25(24)33-29/h2-6,8-12,15,23H,7,13-14,16-21H2,1H3,(H,32,33)