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

Systemtic Name: (5E)-5-[(3-bromanyl-4,5-diethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(3-bromo-4,5-diethoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(3-bromo-4,5-diethoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)Br)OCC

InChI

InChI=1S/C18H19BrN2O4S/c1-4-7-21-17(23)12(16(22)20-18(21)26)8-11-9-13(19)15(25-6-3)14(10-11)24-5-2/h4,8-10H,1,5-7H2,2-3H3,(H,20,22,26)/b12-8+