tert-butyl 4-[[4-(tert-butylcarbamoyloxy)phenyl]methylsulfanylcarbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(tert-butylcarbamoyloxy)phenyl]methylsulfanylcarbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(tert-butylcarbamoyloxy)phenyl]methylsulfanylcarbonyl]piperazine-1-carboxylate CAS Name: 4-[[[4-[(tert-butylamino)-oxomethoxy]phenyl]methylthio]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(tert-butylcarbamoyloxy)phenyl]methylsulfanylcarbonyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(tert-butylcarbamoyloxy)benzyl]thio]carbonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)OC1=CC=C(C=C1)CSC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)OC1=CC=C(C=C1)CSC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O5S/c1-21(2,3)23-18(26)29-17-9-7-16(8-10-17)15-31-20(28)25-13-11-24(12-14-25)19(27)30-22(4,5)6/h7-10H,11-15H2,1-6H3,(H,23,26)