1-[4-(2-bromanyl-5-ethoxy-4-propoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(2-bromanyl-5-ethoxy-4-propoxy-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(2-bromo-5-ethoxy-4-propoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(2-bromo-5-ethoxy-4-propoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(2-bromo-5-ethoxy-4-propoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(2-bromo-5-ethoxy-4-propoxy-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C23H25BrN2O3S MolecularWeight: 489.4252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)OCC

InChI

InChI=1S/C23H25BrN2O3S/c1-4-11-29-19-13-17(24)16(12-18(19)28-5-2)22-20(14(3)27)21(25-23(30)26-22)15-9-7-6-8-10-15/h6-10,12-13,22H,4-5,11H2,1-3H3,(H2,25,26,30)