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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5-[(4-hydroxy-3,5-dimethyl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromo-2-methylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromo-2-methylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromo-2-methyl-phenyl)-5-(4-hydroxy-3,5-dimethyl-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C=C2C(=O)NC(=S)N(C2=O)C3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C20H17BrN2O3S/c1-10-8-14(21)4-5-16(10)23-19(26)15(18(25)22-20(23)27)9-13-6-11(2)17(24)12(3)7-13/h4-9,24H,1-3H3,(H,22,25,27)