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

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(2-methyl-1-sulfanyl-butyl)-1H-benzimidazol-5-yl]-2-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(2-methyl-1-sulfanyl-butyl)-1H-benzimidazol-5-yl]-2-methyl-piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-mercapto-2-methylbutyl)-1H-benzimidazol-5-yl]-2-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(2-methyl-1-sulfanylbutyl)-1H-benzimidazol-5-yl]-2-methylpiperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-(1-mercapto-2-methyl-butyl)-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(C1=NC2=CC(=C(C=C2N1)Cl)N3CCN(C(C3)C)C(=O)OC(C)(C)C)S

Isomeric SMILES

CCC(C)C(C1=NC2=CC(=C(C=C2N1)Cl)N3CCN(C(C3)C)C(=O)OC(C)(C)C)S

InChI

InChI=1S/C22H33ClN4O2S/c1-7-13(2)19(30)20-24-16-10-15(23)18(11-17(16)25-20)26-8-9-27(14(3)12-26)21(28)29-22(4,5)6/h10-11,13-14,19,30H,7-9,12H2,1-6H3,(H,24,25)