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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)C)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)C)Br)OCC

InChI

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