methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-(2-propylsulfonylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-(2-propylsulfonylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methyl-3-(2-propylsulfonylphenyl)sulfonyl-isothiourea CAS Name: N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-(2-propylsulfonylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-(2-propylsulfonylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-(4,6-dimethoxy-s-triazin-2-yl)-2-methyl-3-(2-propylsulfonylphenyl)sulfonyl-isothiourea Formula: C16H21N5O6S3 MolecularWeight: 475.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N=C(NC2=NC(=NC(=N2)OC)OC)SC

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1S(=O)(=O)/N=C(\NC2=NC(=NC(=N2)OC)OC)/SC

InChI

InChI=1S/C16H21N5O6S3/c1-5-10-29(22,23)11-8-6-7-9-12(11)30(24,25)21-16(28-4)19-13-17-14(26-2)20-15(18-13)27-3/h6-9H,5,10H2,1-4H3,(H,17,18,19,20,21)