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

Systemtic Name: 5-[(5-bromanyl-2,4-diethoxy-phenyl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-bromo-2,4-diethoxy-phenyl)methylene]-1-(3-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-bromo-2,4-diethoxyphenyl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-bromo-2,4-diethoxy-benzylidene)-1-(3-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H18BrFN2O4S MolecularWeight: 493.346023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F)Br)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F)Br)OCC

InChI

InChI=1S/C21H18BrFN2O4S/c1-3-28-17-11-18(29-4-2)16(22)9-12(17)8-15-19(26)24-21(30)25(20(15)27)14-7-5-6-13(23)10-14/h5-11H,3-4H2,1-2H3,(H,24,26,30)