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

Systemtic Name: 5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3,5-ditert-butyl-4-hydroxy-benzylidene)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(C(=S)N(C2=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(C(=S)N(C2=O)C)C

InChI

InChI=1S/C21H28N2O3S/c1-20(2,3)14-10-12(11-15(16(14)24)21(4,5)6)9-13-17(25)22(7)19(27)23(8)18(13)26/h9-11,24H,1-8H3