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

Systemtic Name: methyl 4-[5-(dimethylcarbamoyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[5-(dimethylcarbamoyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[5-[dimethylamino(oxo)methyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(dimethylcarbamoyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[5-(dimethylcarbamoyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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