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

Systemtic Name: methyl 4-[5-(dimethylcarbamoyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[5-(dimethylcarbamoyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[5-[dimethylamino(oxo)methyl]-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(dimethylcarbamoyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[5-(dimethylcarbamoyl)-4-methyl-3-(m-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(=CC=C1)N2C(=C(C(NC2=S)C3=CC=C(C=C3)C(=O)OC)C(=O)N(C)C)C

Isomeric SMILES

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

InChI

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