(3-methoxyphenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (3-methoxyphenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: (3-methoxyphenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinecarboxylic acid (3-methoxyphenyl)methyl ester IUPAC Name: (3-methoxyphenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butylthio)benzyl]piperazine-1-carboxylic acid m-anisyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H32N2O3S/c1-24(2,3)30-22-11-6-5-9-20(22)17-25-12-14-26(15-13-25)23(27)29-18-19-8-7-10-21(16-19)28-4/h5-11,16H,12-15,17-18H2,1-4H3