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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromo-2-methylphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromo-2-methylphenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromo-2-methyl-phenyl)-2-thioxo-5-vanillylidene-hexahydropyrimidine-4,6-quinone Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC(=C(C=C3)O)OC)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC(=C(C=C3)O)OC)C(=O)NC2=S

InChI

InChI=1S/C19H15BrN2O4S/c1-10-7-12(20)4-5-14(10)22-18(25)13(17(24)21-19(22)27)8-11-3-6-15(23)16(9-11)26-2/h3-9,23H,1-2H3,(H,21,24,27)