1-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-allyloxy-3-methoxy-phenyl)methylene]-1-(4-bromophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-allyloxy-3-methoxy-benzylidene)-1-(4-bromophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O4S/c1-3-10-28-17-9-4-13(12-18(17)27-2)11-16-19(25)23-21(29)24(20(16)26)15-7-5-14(22)6-8-15/h3-9,11-12H,1,10H2,2H3,(H,23,25,29)