2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethanoylamino]ethylazanium bromide

Systemtic Name: 2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethanoylamino]ethylazanium bromide Openeye Name: 2-[[2-[(2-benzylsulfanylacetyl)amino]acetyl]amino]ethylammonium bromide CAS Name: 2-[[1-oxo-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]ethyl]amino]ethylammonium bromide IUPAC Name: 2-[[2-[(2-benzylsulfanylacetyl)amino]acetyl]amino]ethylazanium bromide Traditional Name: 2-[[2-[[2-(benzylthio)acetyl]amino]acetyl]amino]ethylammonium bromide Formula: C13H20BrN3O2S MolecularWeight: 362.2858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NCC(=O)NCC[NH3+].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NCC(=O)NCC[NH3+].[Br-]

InChI

InChI=1S/C13H19N3O2S.BrH/c14-6-7-15-12(17)8-16-13(18)10-19-9-11-4-2-1-3-5-11;/h1-5H,6-10,14H2,(H,15,17)(H,16,18);1H