methyl N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-phenoxyphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-phenoxyphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(2-phenoxyphenyl)sulfonyl-isothiourea CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-N'-(2-phenoxyphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-phenoxyphenyl)sulfonylcarbamimidothioate Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-methyl-3-(2-phenoxyphenyl)sulfonyl-isothiourea Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2OC3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2OC3=CC=CC=C3)/SC)C

InChI

InChI=1S/C20H20N4O3S2/c1-14-13-15(2)22-19(21-14)23-20(28-3)24-29(25,26)18-12-8-7-11-17(18)27-16-9-5-4-6-10-16/h4-13H,1-3H3,(H,21,22,23,24)