(5E)-1-(3-bromophenyl)-5-[(3-methoxy-2-propan-2-yloxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(3-bromophenyl)-5-[(3-methoxy-2-propan-2-yloxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(3-bromophenyl)-5-[(2-isopropoxy-3-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(3-bromophenyl)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(3-bromophenyl)-5-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(3-bromophenyl)-5-(2-isopropoxy-3-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN2O4S/c1-12(2)28-18-13(6-4-9-17(18)27-3)10-16-19(25)23-21(29)24(20(16)26)15-8-5-7-14(22)11-15/h4-12H,1-3H3,(H,23,25,29)/b16-10+