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

Systemtic Name: 5-[[3,5-bis(iodanyl)-4-phenylmethoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-benzyloxy-3,5-diiodo-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-benzoxy-3,5-diiodo-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12I2N2O3S MolecularWeight: 590.17342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2I)C=C3C(=O)NC(=S)NC3=O)I

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2I)C=C3C(=O)NC(=S)NC3=O)I

InChI

InChI=1S/C18H12I2N2O3S/c19-13-7-11(6-12-16(23)21-18(26)22-17(12)24)8-14(20)15(13)25-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,21,22,23,24,26)