tert-butyl 4-[2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfanyl]-3H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methoxy-3-methyl-2-pyridinyl)methylthio]-3H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-3H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C24H31N5O3S/c1-16-20(25-9-8-21(16)31-5)15-33-22-26-18-7-6-17(14-19(18)27-22)28-10-12-29(13-11-28)23(30)32-24(2,3)4/h6-9,14H,10-13,15H2,1-5H3,(H,26,27)