methyl 4-[(4R)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[(4R)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4R)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4R)-5-[(2,4-dimethylanilino)-oxomethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4R)-5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)N[C@@H]2C3=CC=C(C=C3)C(=O)OC)C)C

InChI

InChI=1S/C22H23N3O3S/c1-12-5-10-17(13(2)11-12)24-20(26)18-14(3)23-22(29)25-19(18)15-6-8-16(9-7-15)21(27)28-4/h5-11,19H,1-4H3,(H,24,26)(H2,23,25,29)/t19-/m1/s1