3-(methylsulfanylmethyl)-6-(1-phenylethyl)piperazine-2,5-dione

Systemtic Name: 3-(methylsulfanylmethyl)-6-(1-phenylethyl)piperazine-2,5-dione Openeye Name: 3-(methylsulfanylmethyl)-6-(1-phenylethyl)piperazine-2,5-dione CAS Name: 3-[(methylthio)methyl]-6-(1-phenylethyl)piperazine-2,5-dione IUPAC Name: 3-(methylsulfanylmethyl)-6-(1-phenylethyl)piperazine-2,5-dione Traditional Name: 3-[(methylthio)methyl]-6-(1-phenylethyl)piperazine-2,5-quinone Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)NC(C(=O)N1)CSC)C2=CC=CC=C2

Isomeric SMILES

CC(C1C(=O)NC(C(=O)N1)CSC)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2S/c1-9(10-6-4-3-5-7-10)12-14(18)15-11(8-19-2)13(17)16-12/h3-7,9,11-12H,8H2,1-2H3,(H,15,18)(H,16,17)