[2-oxidanylidene-2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethylamino]ethyl]azanium bromide

Systemtic Name: [2-oxidanylidene-2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethylamino]ethyl]azanium bromide Openeye Name: [2-[2-[(2-benzylsulfanylacetyl)amino]ethylamino]-2-oxo-ethyl]ammonium bromide CAS Name: [2-oxo-2-[2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]ethylamino]ethyl]ammonium bromide IUPAC Name: [2-[2-[(2-benzylsulfanylacetyl)amino]ethylamino]-2-oxoethyl]azanium bromide Traditional Name: [2-[2-[[2-(benzylthio)acetyl]amino]ethylamino]-2-keto-ethyl]ammonium bromide Formula: C13H20BrN3O2S MolecularWeight: 362.2858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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