1,4-bis(phenylmethyl)-3-sulfanyl-piperazine-2,5-dione

Systemtic Name: 1,4-bis(phenylmethyl)-3-sulfanyl-piperazine-2,5-dione Openeye Name: 1,4-dibenzyl-3-sulfanyl-piperazine-2,5-dione CAS Name: 3-mercapto-1,4-bis(phenylmethyl)piperazine-2,5-dione IUPAC Name: 1,4-dibenzyl-3-sulfanylpiperazine-2,5-dione Traditional Name: 1,4-dibenzyl-3-mercapto-piperazine-2,5-quinone Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(C(=O)N1CC2=CC=CC=C2)S)CC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C(C(=O)N1CC2=CC=CC=C2)S)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S/c21-16-13-19(11-14-7-3-1-4-8-14)17(22)18(23)20(16)12-15-9-5-2-6-10-15/h1-10,18,23H,11-13H2