S-phenoxy N-(4,6-dimethoxypyrimidin-2-yl)-N-phenoxysulfanylcarbonyl-carbamothioate

Systemtic Name: S-phenoxy N-(4,6-dimethoxypyrimidin-2-yl)-N-phenoxysulfanylcarbonyl-carbamothioate Openeye Name: S-phenoxy N-(4,6-dimethoxypyrimidin-2-yl)-N-phenoxysulfanylcarbonyl-carbamothioate CAS Name: [(4,6-dimethoxy-2-pyrimidinyl)-[oxo-(phenoxythio)methyl]amino]-oxomethanesulfenic acid phenyl ester IUPAC Name: S-phenoxy N-(4,6-dimethoxypyrimidin-2-yl)-N-phenoxysulfanylcarbonylcarbamothioate Traditional Name: N-(4,6-dimethoxypyrimidin-2-yl)-N-(phenoxythio)carbonyl-thiocarbamic acid S-phenoxy ester Formula: C20H17N3O6S2 MolecularWeight: 459.49548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N(C(=O)SOC2=CC=CC=C2)C(=O)SOC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N(C(=O)SOC2=CC=CC=C2)C(=O)SOC3=CC=CC=C3)OC

InChI

InChI=1S/C20H17N3O6S2/c1-26-16-13-17(27-2)22-18(21-16)23(19(24)30-28-14-9-5-3-6-10-14)20(25)31-29-15-11-7-4-8-12-15/h3-13H,1-2H3