2-[N-(3-methylsulfanylphenyl)-C-(phenylsulfonylazanidyl)carbonimidoyl]sulfanylethanoate

Systemtic Name: 2-[N-(3-methylsulfanylphenyl)-C-(phenylsulfonylazanidyl)carbonimidoyl]sulfanylethanoate Openeye Name: 2-[C-(benzenesulfonylazanidyl)-N-(3-methylsulfanylphenyl)carbonimidoyl]sulfanylacetate CAS Name: 2-[[benzenesulfonylazanidyl-[3-(methylthio)phenyl]iminomethyl]thio]acetate IUPAC Name: 2-[C-(benzenesulfonylazanidyl)-N-(3-methylsulfanylphenyl)carbonimidoyl]sulfanylacetate Traditional Name: 2-[[C-besylazanidyl-N-[3-(methylthio)phenyl]carbonimidoyl]thio]acetate Formula: C16H14N2O4S3-2 MolecularWeight: 394.48836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N=C([N-]S(=O)(=O)C2=CC=CC=C2)SCC(=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)N=C([N-]S(=O)(=O)C2=CC=CC=C2)SCC(=O)[O-]

InChI

InChI=1S/C16H16N2O4S3/c1-23-13-7-5-6-12(10-13)17-16(24-11-15(19)20)18-25(21,22)14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H2,17,18,19,20)/p-2