tert-butyl 4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(2-imidazo[1,2-a]pyridinylmethylthio)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethylthio)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C24H28N4O3S/c1-24(2,3)31-23(30)27-14-12-26(13-15-27)22(29)18-7-9-20(10-8-18)32-17-19-16-28-11-5-4-6-21(28)25-19/h4-11,16H,12-15,17H2,1-3H3