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

Systemtic Name: 5-[(5-bromanyl-2,4-dimethoxy-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-bromo-2,4-dimethoxy-phenyl)methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-bromo-2,4-dimethoxy-benzylidene)-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19BrN2O4S MolecularWeight: 475.35556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3OC)OC)Br)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3OC)OC)Br)C(=O)NC2=S

InChI

InChI=1S/C21H19BrN2O4S/c1-4-12-5-7-14(8-6-12)24-20(26)15(19(25)23-21(24)29)9-13-10-16(22)18(28-3)11-17(13)27-2/h5-11H,4H2,1-3H3,(H,23,25,29)