(3R,6S)-1-butyl-6-(phenylmethyl)-3-(sulfanylmethyl)piperazine-2,5-dione

Systemtic Name: (3R,6S)-1-butyl-6-(phenylmethyl)-3-(sulfanylmethyl)piperazine-2,5-dione Openeye Name: (3R,6S)-6-benzyl-1-butyl-3-(sulfanylmethyl)piperazine-2,5-dione CAS Name: (3R,6S)-1-butyl-3-(mercaptomethyl)-6-(phenylmethyl)piperazine-2,5-dione IUPAC Name: (3R,6S)-6-benzyl-1-butyl-3-(sulfanylmethyl)piperazine-2,5-dione Traditional Name: (3R,6S)-6-benzyl-1-butyl-3-(mercaptomethyl)piperazine-2,5-quinone Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=O)NC(C1=O)CS)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1[C@H](C(=O)N[C@H](C1=O)CS)CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O2S/c1-2-3-9-18-14(10-12-7-5-4-6-8-12)15(19)17-13(11-21)16(18)20/h4-8,13-14,21H,2-3,9-11H2,1H3,(H,17,19)/t13-,14-/m0/s1