tert-butyl 2-(2-ethylsulfanylethyl)-5-oxidanylidene-4-[2-(2-phenylmethoxyphenoxy)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-ethylsulfanylethyl)-5-oxidanylidene-4-[2-(2-phenylmethoxyphenoxy)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-benzyloxyphenoxy)phenyl]-2-(2-ethylsulfanylethyl)-5-oxo-piperazine-1-carboxylate CAS Name: 2-[2-(ethylthio)ethyl]-5-oxo-4-[2-(2-phenylmethoxyphenoxy)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-ethylsulfanylethyl)-5-oxo-4-[2-(2-phenylmethoxyphenoxy)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-benzoxyphenoxy)phenyl]-2-[2-(ethylthio)ethyl]-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C32H38N2O5S MolecularWeight: 562.71952

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC=CC=C2OC3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CCSCCC1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC=CC=C2OC3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C32H38N2O5S/c1-5-40-20-19-25-21-34(30(35)22-33(25)31(36)39-32(2,3)4)26-15-9-10-16-27(26)38-29-18-12-11-17-28(29)37-23-24-13-7-6-8-14-24/h6-18,25H,5,19-23H2,1-4H3