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

Systemtic Name: 4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-bromo-5-methoxy-4-propoxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-bromo-5-methoxy-4-propoxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-bromo-5-methoxy-4-propoxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H24BrN3O3S/c1-4-10-29-20-16(23)11-14(12-17(20)28-3)19-18(13(2)24-22(30)26-19)21(27)25-15-8-6-5-7-9-15/h5-9,11-12,19H,4,10H2,1-3H3,(H,25,27)(H2,24,26,30)