phenyl N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(methoxysulfamoyl)phenyl]sulfonyl-carbamimidothioate

Systemtic Name: phenyl N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(methoxysulfamoyl)phenyl]sulfonyl-carbamimidothioate Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(methoxysulfamoyl)phenyl]sulfonyl-2-phenyl-isothiourea CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-N'-[2-(methoxysulfamoyl)phenyl]sulfonylcarbamimidothioic acid phenyl ester IUPAC Name: phenyl N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(methoxysulfamoyl)phenyl]sulfonylcarbamimidothioate Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(methoxysulfamoyl)phenyl]sulfonyl-2-phenyl-isothiourea Formula: C20H21N5O5S3 MolecularWeight: 507.60624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NOC)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NOC)/SC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N5O5S3/c1-14-13-15(2)22-19(21-14)23-20(31-16-9-5-4-6-10-16)24-32(26,27)17-11-7-8-12-18(17)33(28,29)25-30-3/h4-13,25H,1-3H3,(H,21,22,23,24)