(2-azanyl-2-oxidanylidene-ethyl)-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (2-amino-2-oxoethyl)-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)N)CC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

C[NH+](CC(=O)N)CC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C12H17N3O2S/c1-15(7-11(13)16)8-12(17)14-9-5-3-4-6-10(9)18-2/h3-6H,7-8H2,1-2H3,(H2,13,16)(H,14,17)/p+1