(3R,6Z)-3-methylsulfanyl-3-(phenylmethyl)-6-(phenylmethylidene)piperazine-2,5-dione

Systemtic Name: (3R,6Z)-3-methylsulfanyl-3-(phenylmethyl)-6-(phenylmethylidene)piperazine-2,5-dione Openeye Name: (3R,6Z)-3-benzyl-6-benzylidene-3-methylsulfanyl-piperazine-2,5-dione CAS Name: (3R,6Z)-3-(methylthio)-3-(phenylmethyl)-6-(phenylmethylene)piperazine-2,5-dione IUPAC Name: (3R,6Z)-3-benzyl-6-benzylidene-3-methylsulfanylpiperazine-2,5-dione Traditional Name: (3R,6Z)-6-benzal-3-benzyl-3-(methylthio)piperazine-2,5-quinone Formula: C19H18N2O2S MolecularWeight: 338.42342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(=O)NC(=CC2=CC=CC=C2)C(=O)N1)CC3=CC=CC=C3

Isomeric SMILES

CS[C@@]1(C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)N1)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S/c1-24-19(13-15-10-6-3-7-11-15)18(23)20-16(17(22)21-19)12-14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,20,23)(H,21,22)/b16-12-/t19-/m1/s1