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

Systemtic Name: 1-(3-bromophenyl)-5-[(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-allyl-5-ethoxy-4-hydroxy-phenyl)methylene]-1-(3-bromophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-bromophenyl)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-bromophenyl)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-allyl-5-ethoxy-4-hydroxy-benzylidene)-1-(3-bromophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H19BrN2O4S/c1-3-6-14-9-13(11-18(19(14)26)29-4-2)10-17-20(27)24-22(30)25(21(17)28)16-8-5-7-15(23)12-16/h3,5,7-12,26H,1,4,6H2,2H3,(H,24,27,30)