tert-butyl 4-[2-[(6-fluoranyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(6-fluoranyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanyl]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-fluoro-1H-benzimidazol-2-yl)thio]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanyl]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-fluoro-1H-benzimidazol-2-yl)thio]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25FN4O2S MolecularWeight: 380.480103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCSC2=NC3=C(N2)C=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCSC2=NC3=C(N2)C=C(C=C3)F

InChI

InChI=1S/C18H25FN4O2S/c1-18(2,3)25-17(24)23-8-6-22(7-9-23)10-11-26-16-20-14-5-4-13(19)12-15(14)21-16/h4-5,12H,6-11H2,1-3H3,(H,20,21)