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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)C)C)O

InChI

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