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

Systemtic Name: tert-butyl 4-[6-chloranyl-2-[1-(dimethylamino)propan-2-ylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-[2-(dimethylamino)-1-methyl-ethyl]sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-[1-(dimethylamino)propan-2-ylthio]-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-[1-(dimethylamino)propan-2-ylsulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-[[2-(dimethylamino)-1-methyl-ethyl]thio]-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32ClN5O2S MolecularWeight: 454.02908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN5O2S/c1-14(13-25(5)6)30-19-23-16-11-15(22)18(12-17(16)24-19)26-7-9-27(10-8-26)20(28)29-21(2,3)4/h11-12,14H,7-10,13H2,1-6H3,(H,23,24)