tert-butyl 4-[(4-methylsulfanylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-methylsulfanylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(methylthio)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[4-(methylthio)benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H26N2O2S/c1-17(2,3)21-16(20)19-11-9-18(10-12-19)13-14-5-7-15(22-4)8-6-14/h5-8H,9-13H2,1-4H3