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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=C(C=CC(=C3)Br)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=C(C=CC(=C3)Br)OC)C)C

InChI

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