methyl N-(3-methylsulfanylphenyl)-N'-(phenylsulfonyl)carbamimidothioate

Systemtic Name: methyl N-(3-methylsulfanylphenyl)-N'-(phenylsulfonyl)carbamimidothioate Openeye Name: 3-(benzenesulfonyl)-2-methyl-1-(3-methylsulfanylphenyl)isothiourea CAS Name: N'-(benzenesulfonyl)-N-[3-(methylthio)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(benzenesulfonyl)-N-(3-methylsulfanylphenyl)carbamimidothioate Traditional Name: 3-besyl-2-methyl-1-[3-(methylthio)phenyl]isothiourea Formula: C15H16N2O2S3 MolecularWeight: 352.49474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CSC1=CC=CC(=C1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/SC

InChI

InChI=1S/C15H16N2O2S3/c1-20-13-8-6-7-12(11-13)16-15(21-2)17-22(18,19)14-9-4-3-5-10-14/h3-11H,1-2H3,(H,16,17)