(5E)-1-(4-bromanyl-2-methyl-phenyl)-5-[(3-methoxy-2-propan-2-yloxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(4-bromanyl-2-methyl-phenyl)-5-[(3-methoxy-2-propan-2-yloxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-[(2-isopropoxy-3-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-(2-isopropoxy-3-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=C(C(=CC=C3)OC)OC(C)C)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OC(C)C)/C(=O)NC2=S

InChI

InChI=1S/C22H21BrN2O4S/c1-12(2)29-19-14(6-5-7-18(19)28-4)11-16-20(26)24-22(30)25(21(16)27)17-9-8-15(23)10-13(17)3/h5-12H,1-4H3,(H,24,26,30)/b16-11+