tert-butyl 4-(2-methylphenyl)-2-(2-methylsulfanylethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methylphenyl)-2-(2-methylsulfanylethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(2-methylsulfanylethyl)-4-(o-tolyl)piperazine-1-carboxylate CAS Name: 4-(2-methylphenyl)-2-[2-(methylthio)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methylphenyl)-2-(2-methylsulfanylethyl)piperazine-1-carboxylate Traditional Name: 2-[2-(methylthio)ethyl]-4-(o-tolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(C(C2)CCSC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(C(C2)CCSC)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H30N2O2S/c1-15-8-6-7-9-17(15)20-11-12-21(16(14-20)10-13-24-5)18(22)23-19(2,3)4/h6-9,16H,10-14H2,1-5H3