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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-5-ethoxy-4-isopropoxy-phenyl)methylene]-1-(3-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-5-ethoxy-4-isopropoxy-benzylidene)-1-(3-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H20BrFN2O4S MolecularWeight: 507.372603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F)Br)OC(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F)Br)OC(C)C

InChI

InChI=1S/C22H20BrFN2O4S/c1-4-29-18-10-13(9-17(23)19(18)30-12(2)3)8-16-20(27)25-22(31)26(21(16)28)15-7-5-6-14(24)11-15/h5-12H,4H2,1-3H3,(H,25,27,31)