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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OC)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OC)C(=O)NC2=S

InChI

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