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

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(1,1-dimethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(2-methylbutan-2-ylthio)-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(2-methylbutan-2-ylsulfanyl)-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-amylthio)-6-chloro-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31ClN4O2S MolecularWeight: 439.01444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)(C)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31ClN4O2S/c1-7-21(5,6)29-18-23-15-12-14(22)17(13-16(15)24-18)25-8-10-26(11-9-25)19(27)28-20(2,3)4/h12-13H,7-11H2,1-6H3,(H,23,24)