(5E)-5-[(4-ethoxy-3-iodanyl-phenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(4-ethoxy-3-iodanyl-phenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(4-ethoxy-3-iodo-phenyl)methylene]-1-(4-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(4-ethoxy-3-iodophenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(4-ethoxy-3-iodophenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(4-ethoxy-3-iodo-benzylidene)-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19IN2O4S MolecularWeight: 522.35603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC)I)/C(=O)NC2=S

InChI

InChI=1S/C21H19IN2O4S/c1-3-27-15-8-6-14(7-9-15)24-20(26)16(19(25)23-21(24)29)11-13-5-10-18(28-4-2)17(22)12-13/h5-12H,3-4H2,1-2H3,(H,23,25,29)/b16-11+