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

Systemtic Name: tert-butyl 4-[6-fluoranyl-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-fluoro-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H32FN5O3S MolecularWeight: 501.616683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32FN5O3S/c1-15-13-27-20(16(2)22(15)33-6)14-35-23-28-18-11-17(26)21(12-19(18)29-23)30-7-9-31(10-8-30)24(32)34-25(3,4)5/h11-13H,7-10,14H2,1-6H3,(H,28,29)