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

Systemtic Name: 5-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(4-hydroxy-3,5-dimethyl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-(4-hydroxy-3,5-dimethyl-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)C)O)C)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)C)O)C)C(=O)NC2=S

InChI

InChI=1S/C21H20N2O3S/c1-4-14-5-7-16(8-6-14)23-20(26)17(19(25)22-21(23)27)11-15-9-12(2)18(24)13(3)10-15/h5-11,24H,4H2,1-3H3,(H,22,25,27)