2-[N-(3-methylsulfanylphenyl)-N'-(phenylsulfonyl)carbamimidoyl]sulfanylethanoate

Systemtic Name: 2-[N-(3-methylsulfanylphenyl)-N'-(phenylsulfonyl)carbamimidoyl]sulfanylethanoate Openeye Name: 2-[N'-(benzenesulfonyl)-N-(3-methylsulfanylphenyl)carbamimidoyl]sulfanylacetate CAS Name: 2-[[benzenesulfonylimino-[3-(methylthio)anilino]methyl]thio]acetate IUPAC Name: 2-[N'-(benzenesulfonyl)-N-(3-methylsulfanylphenyl)carbamimidoyl]sulfanylacetate Traditional Name: 2-[[N'-besyl-N-[3-(methylthio)phenyl]amidino]thio]acetate Formula: C16H15N2O4S3- MolecularWeight: 395.4963

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)SCC(=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=NS(=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,(H,17,18)(H,19,20)/p-1