2-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylpropanoylamino]ethylazanium

Systemtic Name: 2-[3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylpropanoylamino]ethylazanium Openeye Name: 2-[3-(2-anilino-2-oxo-ethyl)sulfanylpropanoylamino]ethylammonium CAS Name: 2-[[3-[(2-anilino-2-oxoethyl)thio]-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[3-(2-anilino-2-oxoethyl)sulfanylpropanoylamino]ethylazanium Traditional Name: 2-[3-[(2-anilino-2-keto-ethyl)thio]propanoylamino]ethylammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC[NH3+]

InChI

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