5-[(2-bromanyl-5-ethoxy-4-propoxy-phenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2-bromanyl-5-ethoxy-4-propoxy-phenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-bromo-5-ethoxy-4-propoxy-phenyl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-bromo-5-ethoxy-4-propoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-bromo-5-ethoxy-4-propoxy-benzylidene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C22H21BrN2O4S/c1-3-10-29-19-13-17(23)14(12-18(19)28-4-2)11-16-20(26)24-22(30)25(21(16)27)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,26,30)