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

Systemtic Name: tert-butyl 4-[6-chloranyl-2-(2-methyl-2-piperidin-1-yl-propyl)sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-[2-methyl-2-(1-piperidyl)propyl]sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-[[2-methyl-2-(1-piperidinyl)propyl]thio]-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-chloro-2-(2-methyl-2-piperidin-1-ylpropyl)sulfanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-[(2-methyl-2-piperidino-propyl)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)SCC(C)(C)N4CCCCC4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)SCC(C)(C)N4CCCCC4)Cl

InChI

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