(3R,6S)-6-[(4-nitrophenyl)methyl]-1-propyl-3-(sulfanylmethyl)piperazine-2,5-dione

Systemtic Name: (3R,6S)-6-[(4-nitrophenyl)methyl]-1-propyl-3-(sulfanylmethyl)piperazine-2,5-dione Openeye Name: (3R,6S)-6-[(4-nitrophenyl)methyl]-1-propyl-3-(sulfanylmethyl)piperazine-2,5-dione CAS Name: (3R,6S)-3-(mercaptomethyl)-6-[(4-nitrophenyl)methyl]-1-propylpiperazine-2,5-dione IUPAC Name: (3R,6S)-6-[(4-nitrophenyl)methyl]-1-propyl-3-(sulfanylmethyl)piperazine-2,5-dione Traditional Name: (3R,6S)-3-(mercaptomethyl)-6-(4-nitrobenzyl)-1-propyl-piperazine-2,5-quinone Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(=O)NC(C1=O)CS)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCN1[C@H](C(=O)N[C@H](C1=O)CS)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c1-2-7-17-13(14(19)16-12(9-23)15(17)20)8-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,23H,2,7-9H2,1H3,(H,16,19)/t12-,13-/m0/s1