5-[[3,5-bis(iodanyl)-2-propoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3,5-bis(iodanyl)-2-propoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3,5-diiodo-2-propoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3,5-diiodo-2-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3,5-diiodo-2-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3,5-diiodo-2-propoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H12I2N2O3S MolecularWeight: 542.13062

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C=C2C(=O)NC(=S)NC2=O)I)I

Isomeric SMILES

CCCOC1=C(C=C(C=C1C=C2C(=O)NC(=S)NC2=O)I)I

InChI

InChI=1S/C14H12I2N2O3S/c1-2-3-21-11-7(4-8(15)6-10(11)16)5-9-12(19)17-14(22)18-13(9)20/h4-6H,2-3H2,1H3,(H2,17,18,19,20,22)