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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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