6-methoxy-3-methyl-2-methylsulfanyl-4-(phenylmethyl)-1-piperidin-2-yl-5-pyridin-2-yl-2H-benzimidazole

Systemtic Name: 6-methoxy-3-methyl-2-methylsulfanyl-4-(phenylmethyl)-1-piperidin-2-yl-5-pyridin-2-yl-2H-benzimidazole Openeye Name: 4-benzyl-6-methoxy-3-methyl-2-methylsulfanyl-1-(2-piperidyl)-5-(2-pyridyl)-2H-benzimidazole CAS Name: 6-methoxy-3-methyl-2-(methylthio)-4-(phenylmethyl)-1-(2-piperidinyl)-5-(2-pyridinyl)-2H-benzimidazole IUPAC Name: 4-benzyl-6-methoxy-3-methyl-2-methylsulfanyl-1-piperidin-2-yl-5-pyridin-2-yl-2H-benzimidazole Traditional Name: 4-benzyl-6-methoxy-3-methyl-2-(methylthio)-1-(2-piperidyl)-5-(2-pyridyl)-2H-benzimidazole Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C2=CC(=C(C(=C21)CC3=CC=CC=C3)C4=CC=CC=N4)OC)C5CCCCN5)SC

Isomeric SMILES

CN1C(N(C2=CC(=C(C(=C21)CC3=CC=CC=C3)C4=CC=CC=N4)OC)C5CCCCN5)SC

InChI

InChI=1S/C27H32N4OS/c1-30-26-20(17-19-11-5-4-6-12-19)25(21-13-7-9-15-28-21)23(32-2)18-22(26)31(27(30)33-3)24-14-8-10-16-29-24/h4-7,9,11-13,15,18,24,27,29H,8,10,14,16-17H2,1-3H3