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

Systemtic Name: 5-[(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-bromo-4-hydroxy-5-methoxy-benzylidene)-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17BrN2O4S MolecularWeight: 461.32898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3Br)O)OC)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3Br)O)OC)C(=O)NC2=S

InChI

InChI=1S/C20H17BrN2O4S/c1-3-11-4-6-13(7-5-11)23-19(26)14(18(25)22-20(23)28)8-12-9-17(27-2)16(24)10-15(12)21/h4-10,24H,3H2,1-2H3,(H,22,25,28)