methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methylsulfanylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methylsulfanylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-(4,6-dimethoxypyrimidin-2-yl)-2-methyl-3-(2-methylsulfanylphenyl)sulfonyl-isothiourea CAS Name: N-(4,6-dimethoxy-2-pyrimidinyl)-N'-[2-(methylthio)phenyl]sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methylsulfanylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-(4,6-dimethoxypyrimidin-2-yl)-2-methyl-3-[2-(methylthio)phenyl]sulfonyl-isothiourea Formula: C15H18N4O4S3 MolecularWeight: 414.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2SC)SC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2SC)/SC)OC

InChI

InChI=1S/C15H18N4O4S3/c1-22-12-9-13(23-2)17-14(16-12)18-15(25-4)19-26(20,21)11-8-6-5-7-10(11)24-3/h5-9H,1-4H3,(H,16,17,18,19)