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

Systemtic Name: methyl 4-[3-(3-bromophenyl)-5-(dimethylcarbamoyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[3-(3-bromophenyl)-5-(dimethylcarbamoyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[3-(3-bromophenyl)-5-[dimethylamino(oxo)methyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-bromophenyl)-5-(dimethylcarbamoyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[3-(3-bromophenyl)-5-(dimethylcarbamoyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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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)C(=O)OC)C(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O3S/c1-13-18(20(27)25(2)3)19(14-8-10-15(11-9-14)21(28)29-4)24-22(30)26(13)17-7-5-6-16(23)12-17/h5-12,19H,1-4H3,(H,24,30)