disodium 2-[[3-(2-sulfanidylethylcarbamoyl)phenyl]carbonylamino]ethanethiolate

Systemtic Name: disodium 2-[[3-(2-sulfanidylethylcarbamoyl)phenyl]carbonylamino]ethanethiolate Openeye Name: disodium 2-[[3-(2-sulfidoethylcarbamoyl)benzoyl]amino]ethanethiolate CAS Name: disodium 2-[[oxo-[3-[oxo-(2-sulfidoethylamino)methyl]phenyl]methyl]amino]ethanethiolate IUPAC Name: disodium 2-[[3-(2-sulfidoethylcarbamoyl)benzoyl]amino]ethanethiolate Traditional Name: disodium 2-[[3-(2-sulfidoethylcarbamoyl)benzoyl]amino]ethanethiolate Formula: C12H14N2Na2O2S2 MolecularWeight: 328.3613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NCC[S-])C(=O)NCC[S-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NCC[S-])C(=O)NCC[S-].[Na+].[Na+]

InChI

InChI=1S/C12H16N2O2S2.2Na/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18;;/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16);;/q;2*+1/p-2