(phenylmethyl) 6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(4-isopropylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-4-(4-propan-2-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-p-cumenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2S/c1-14(2)17-9-11-18(12-10-17)20-19(15(3)23-22(27)24-20)21(25)26-13-16-7-5-4-6-8-16/h4-12,14,20H,13H2,1-3H3,(H2,23,24,27)