4-[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]-N-(4-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]-N-(4-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]-N-(4-ethylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(4-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(4-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-[3-bromo-4-(2-chlorobenzyl)oxy-5-ethoxy-phenyl]-N-(4-ethylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C29H29BrClN3O3S MolecularWeight: 614.98086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4Cl)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C(=C3)Br)OCC4=CC=CC=C4Cl)OCC)C

InChI

InChI=1S/C29H29BrClN3O3S/c1-4-18-10-12-21(13-11-18)33-28(35)25-17(3)32-29(38)34-26(25)20-14-22(30)27(24(15-20)36-5-2)37-16-19-8-6-7-9-23(19)31/h6-15,26H,4-5,16H2,1-3H3,(H,33,35)(H2,32,34,38)