methyl 2-[5-(dimethylcarbamoyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 2-[5-(dimethylcarbamoyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 2-[5-(dimethylcarbamoyl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[5-[dimethylamino(oxo)methyl]-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-(dimethylcarbamoyl)-4-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[5-(dimethylcarbamoyl)-4-methyl-3-(p-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3C(=O)OC)C(=O)N(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3C(=O)OC)C(=O)N(C)C)C

InChI

InChI=1S/C23H25N3O3S/c1-14-10-12-16(13-11-14)26-15(2)19(21(27)25(3)4)20(24-23(26)30)17-8-6-7-9-18(17)22(28)29-5/h6-13,20H,1-5H3,(H,24,30)