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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OC)OCC)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OC)OCC)C(=O)NC2=S

InChI

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