tert-butyl 4-[6-fluoranyl-2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-fluoranyl-2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-fluoro-2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylthio]-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-fluoro-2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-fluoro-2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H30FN5O3S MolecularWeight: 487.590103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C24H30FN5O3S/c1-15-19(26-7-6-21(15)32-5)14-34-22-27-17-12-16(25)20(13-18(17)28-22)29-8-10-30(11-9-29)23(31)33-24(2,3)4/h6-7,12-13H,8-11,14H2,1-5H3,(H,27,28)