S-methyl 4-oxidanyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-diazinane-5-carbothioate

Systemtic Name: S-methyl 4-oxidanyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-diazinane-5-carbothioate Openeye Name: S-methyl 4-hydroxy-6-(4-isopropylphenyl)-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carbothioate CAS Name: 4-hydroxy-2-oxo-6-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-diazinane-5-carbothioic acid S-methyl ester IUPAC Name: S-methyl 4-hydroxy-2-oxo-6-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-diazinane-5-carbothioate Traditional Name: 4-hydroxy-2-keto-6-p-cumenyl-4-(trifluoromethyl)hexahydropyrimidine-5-carbothioic acid S-methyl ester Formula: C16H19F3N2O3S MolecularWeight: 376.39387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)SC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)SC

InChI

InChI=1S/C16H19F3N2O3S/c1-8(2)9-4-6-10(7-5-9)12-11(13(22)25-3)15(24,16(17,18)19)21-14(23)20-12/h4-8,11-12,24H,1-3H3,(H2,20,21,23)