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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(=O)NC(C(=O)N1)CCC2=CC=CC=C2

Isomeric SMILES

CSCC1C(=O)NC(C(=O)N1)CCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2S/c1-19-9-12-14(18)15-11(13(17)16-12)8-7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,18)(H,16,17)