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

Systemtic Name: 4-(5-bromanyl-2-ethoxy-phenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(5-bromo-2-ethoxy-phenyl)-6-methyl-N-(o-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(5-bromo-2-ethoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(5-bromo-2-ethoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(5-bromo-2-ethoxy-phenyl)-6-methyl-N-(o-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H22BrN3O2S/c1-4-27-17-10-9-14(22)11-15(17)19-18(13(3)23-21(28)25-19)20(26)24-16-8-6-5-7-12(16)2/h5-11,19H,4H2,1-3H3,(H,24,26)(H2,23,25,28)