(5E)-5-[(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(4-benzyloxy-2-bromo-5-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(4-benzoxy-2-bromo-5-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H19BrN2O4S/c1-3-9-25-21(27)16(20(26)24-22(25)30)10-15-11-18(28-2)19(12-17(15)23)29-13-14-7-5-4-6-8-14/h3-8,10-12H,1,9,13H2,2H3,(H,24,26,30)/b16-10+