methyl (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-acetamidophenyl)-3-(3-bromophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)NC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)NC(=O)C)C(=O)OC

InChI

InChI=1S/C21H20BrN3O3S/c1-12-18(20(27)28-3)19(14-7-9-16(10-8-14)23-13(2)26)24-21(29)25(12)17-6-4-5-15(22)11-17/h4-11,19H,1-3H3,(H,23,26)(H,24,29)/t19-/m0/s1