2-[(E)-N-(3-methylsulfanylphenyl)-N'-(phenylsulfonyl)carbamimidoyl]sulfanylethanoic acid

Systemtic Name: 2-[(E)-N-(3-methylsulfanylphenyl)-N'-(phenylsulfonyl)carbamimidoyl]sulfanylethanoic acid Openeye Name: 2-[(E)-N'-(benzenesulfonyl)-N-(3-methylsulfanylphenyl)carbamimidoyl]sulfanylacetic acid CAS Name: 2-[[(E)-benzenesulfonylimino-[3-(methylthio)anilino]methyl]thio]acetic acid IUPAC Name: 2-[(E)-N'-(benzenesulfonyl)-N-(3-methylsulfanylphenyl)carbamimidoyl]sulfanylacetic acid Traditional Name: 2-[[(E)-N'-besyl-N-[3-(methylthio)phenyl]amidino]thio]acetic acid Formula: C16H16N2O4S3 MolecularWeight: 396.50424

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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)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,(H,17,18)(H,19,20)