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

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(1-methylpiperidin-4-yl)sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-[(1-methyl-4-piperidyl)sulfanyl]-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-[(1-methyl-4-piperidinyl)thio]-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(1-methylpiperidin-4-yl)sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-[(1-methyl-4-piperidyl)thio]-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32ClN5O2S MolecularWeight: 466.03978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SC4CCN(CC4)C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SC4CCN(CC4)C)Cl

InChI

InChI=1S/C22H32ClN5O2S/c1-22(2,3)30-21(29)28-11-9-27(10-12-28)19-14-18-17(13-16(19)23)24-20(25-18)31-15-5-7-26(4)8-6-15/h13-15H,5-12H2,1-4H3,(H,24,25)