tert-butyl 4-[6-chloranyl-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazol-5-yl]-2-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazol-5-yl]-2-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(1,1-dimethylpropylsulfanyl)-1H-benzimidazol-5-yl]-2-methyl-piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(2-methylbutan-2-ylthio)-1H-benzimidazol-5-yl]-2-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazol-5-yl]-2-methylpiperazine-1-carboxylate Traditional Name: 4-[2-(tert-amylthio)-6-chloro-1H-benzimidazol-5-yl]-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33ClN4O2S MolecularWeight: 453.04102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(C(C3)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(C(C3)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33ClN4O2S/c1-8-22(6,7)30-19-24-16-11-15(23)18(12-17(16)25-19)26-9-10-27(14(2)13-26)20(28)29-21(3,4)5/h11-12,14H,8-10,13H2,1-7H3,(H,24,25)