tert-butyl 4-[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-thienylmethylsulfanyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(thiophen-2-ylmethylthio)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-thenylthio)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=CS3

InChI

InChI=1S/C21H26N2O3S2/c1-21(2,3)26-20(25)23-12-10-22(11-13-23)19(24)17-8-4-5-9-18(17)28-15-16-7-6-14-27-16/h4-9,14H,10-13,15H2,1-3H3