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

Systemtic Name: 5-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethyl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-hydroxy-3,5-dimethyl-benzylidene)-1-m-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-4-27-16-7-5-6-15(11-16)23-20(26)17(19(25)22-21(23)28)10-14-8-12(2)18(24)13(3)9-14/h5-11,24H,4H2,1-3H3,(H,22,25,28)