2-[[3-methyl-4-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-methyl-4-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[4-[(1-benzyl-4-piperidyl)sulfanyl]-3-methyl-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[[1-(phenylmethyl)-4-piperidinyl]thio]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[4-(1-benzylpiperidin-4-yl)sulfanyl-3-methylpyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[4-[(1-benzyl-4-piperidyl)thio]-3-methyl-2-pyridyl]methylthio]-1H-benzimidazole Formula: C26H28N4S2 MolecularWeight: 460.65732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4S2/c1-19-24(18-31-26-28-22-9-5-6-10-23(22)29-26)27-14-11-25(19)32-21-12-15-30(16-13-21)17-20-7-3-2-4-8-20/h2-11,14,21H,12-13,15-18H2,1H3,(H,28,29)