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

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(2-methyl-1-pyrrolidin-1-yl-propan-2-yl)sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(1,1-dimethyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-[[2-methyl-1-(1-pyrrolidinyl)propan-2-yl]thio]-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-[(1,1-dimethyl-2-pyrrolidino-ethyl)thio]-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H36ClN5O2S MolecularWeight: 494.09294

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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)SC(C)(C)CN4CCCC4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SC(C)(C)CN4CCCC4)Cl

InChI

InChI=1S/C24H36ClN5O2S/c1-23(2,3)32-22(31)30-12-10-29(11-13-30)20-15-19-18(14-17(20)25)26-21(27-19)33-24(4,5)16-28-8-6-7-9-28/h14-15H,6-13,16H2,1-5H3,(H,26,27)