tert-butyl 2-(2-methylsulfanylethyl)-3-oxidanylidene-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-methylsulfanylethyl)-3-oxidanylidene-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-benzyl-2-(2-methylsulfanylethyl)-3-oxo-piperazine-1-carboxylate CAS Name: 2-[2-(methylthio)ethyl]-3-oxo-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-2-(2-methylsulfanylethyl)-3-oxopiperazine-1-carboxylate Traditional Name: 4-benzyl-3-keto-2-[2-(methylthio)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1CCSC)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1CCSC)CC2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3S/c1-19(2,3)24-18(23)21-12-11-20(14-15-8-6-5-7-9-15)17(22)16(21)10-13-25-4/h5-9,16H,10-14H2,1-4H3