2-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]ethylazanium

Systemtic Name: 2-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]ethylazanium Openeye Name: 2-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]ethylammonium CAS Name: 2-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]ethylammonium IUPAC Name: 2-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]ethylazanium Traditional Name: 2-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]ethylammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c13-6-7-14-11(16)8-18-9-12(17)15-10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,14,16)(H,15,17)/p+1