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

Systemtic Name: 5-[(3-bromanyl-4-prop-2-enoxy-phenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-allyloxy-3-bromo-phenyl)methylene]-1-(3-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-4-prop-2-enoxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-4-prop-2-enoxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-allyloxy-3-bromo-benzylidene)-1-m-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)Br)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)Br)C(=O)NC2=S

InChI

InChI=1S/C22H19BrN2O4S/c1-3-10-29-19-9-8-14(12-18(19)23)11-17-20(26)24-22(30)25(21(17)27)15-6-5-7-16(13-15)28-4-2/h3,5-9,11-13H,1,4,10H2,2H3,(H,24,26,30)