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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3C)Br)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3C)Br)OCC

InChI

InChI=1S/C22H21BrN2O4S/c1-4-28-18-12-19(29-5-2)16(23)11-14(18)10-15-20(26)24-22(30)25(21(15)27)17-9-7-6-8-13(17)3/h6-12H,4-5H2,1-3H3,(H,24,26,30)