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

Systemtic Name: (5Z)-1-(3-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-5-[(4-allyloxy-3-methoxy-phenyl)methylene]-1-(3-bromophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(3-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(3-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-5-(4-allyloxy-3-methoxy-benzylidene)-1-(3-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(=CC=C3)Br)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O4S/c1-3-9-28-17-8-7-13(11-18(17)27-2)10-16-19(25)23-21(29)24(20(16)26)15-6-4-5-14(22)12-15/h3-8,10-12H,1,9H2,2H3,(H,23,25,29)/b16-10-