4-(3-bromanyl-4-butoxy-5-methoxy-phenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(3-bromanyl-4-butoxy-5-methoxy-phenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-bromo-4-butoxy-5-methoxy-phenyl)-6-methyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-bromo-4-butoxy-5-methoxy-phenyl)-6-methyl-N-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C24H28BrN3O3S MolecularWeight: 518.46642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C24H28BrN3O3S/c1-5-6-11-31-22-18(25)12-16(13-19(22)30-4)21-20(15(3)26-24(32)28-21)23(29)27-17-9-7-14(2)8-10-17/h7-10,12-13,21H,5-6,11H2,1-4H3,(H,27,29)(H2,26,28,32)