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

Systemtic Name: 4-(5-bromanyl-2-propan-2-yloxy-phenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(5-bromo-2-isopropoxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(5-bromo-2-propan-2-yloxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(5-bromo-2-propan-2-yloxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(5-bromo-2-isopropoxy-phenyl)-6-methyl-N-phenyl-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=C(C(NC(=S)N1)C2=C(C=CC(=C2)Br)OC(C)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)Br)OC(C)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O2S/c1-12(2)27-17-10-9-14(22)11-16(17)19-18(13(3)23-21(28)25-19)20(26)24-15-7-5-4-6-8-15/h4-12,19H,1-3H3,(H,24,26)(H2,23,25,28)