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

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(2-methyl-1-piperidin-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-(1-piperidyl)ethyl]sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-[[2-methyl-1-(1-piperidinyl)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-piperidin-1-ylpropan-2-yl)sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-[(1,1-dimethyl-2-piperidino-ethyl)thio]-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H38ClN5O2S MolecularWeight: 508.11952

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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)CN4CCCCC4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SC(C)(C)CN4CCCCC4)Cl

InChI

InChI=1S/C25H38ClN5O2S/c1-24(2,3)33-23(32)31-13-11-30(12-14-31)21-16-20-19(15-18(21)26)27-22(28-20)34-25(4,5)17-29-9-7-6-8-10-29/h15-16H,6-14,17H2,1-5H3,(H,27,28)