3-(methylsulfanylmethyl)-6-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: 3-(methylsulfanylmethyl)-6-(phenylmethyl)piperazine-2,5-dione Openeye Name: 3-benzyl-6-(methylsulfanylmethyl)piperazine-2,5-dione CAS Name: 3-[(methylthio)methyl]-6-(phenylmethyl)piperazine-2,5-dione IUPAC Name: 3-benzyl-6-(methylsulfanylmethyl)piperazine-2,5-dione Traditional Name: 3-benzyl-6-[(methylthio)methyl]piperazine-2,5-quinone Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(=O)NC(C(=O)N1)CC2=CC=CC=C2

Isomeric SMILES

CSCC1C(=O)NC(C(=O)N1)CC2=CC=CC=C2

InChI

InChI=1S/C13H16N2O2S/c1-18-8-11-13(17)14-10(12(16)15-11)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,14,17)(H,15,16)