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

Systemtic Name: 3-(methylsulfanylmethyl)-6-phenyl-piperazine-2,5-dione Openeye Name: 3-(methylsulfanylmethyl)-6-phenyl-piperazine-2,5-dione CAS Name: 3-[(methylthio)methyl]-6-phenylpiperazine-2,5-dione IUPAC Name: 3-(methylsulfanylmethyl)-6-phenylpiperazine-2,5-dione Traditional Name: 3-[(methylthio)methyl]-6-phenyl-piperazine-2,5-quinone Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-17-7-9-11(15)14-10(12(16)13-9)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,13,16)(H,14,15)