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

Systemtic Name: 1-(3-chlorophenyl)-5-[(3,4-diethoxy-5-iodanyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chlorophenyl)-5-[(3,4-diethoxy-5-iodo-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chlorophenyl)-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chlorophenyl)-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chlorophenyl)-5-(3,4-diethoxy-5-iodo-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H18ClIN2O4S MolecularWeight: 556.80109

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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)Cl)I)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl)I)OCC

InChI

InChI=1S/C21H18ClIN2O4S/c1-3-28-17-10-12(9-16(23)18(17)29-4-2)8-15-19(26)24-21(30)25(20(15)27)14-7-5-6-13(22)11-14/h5-11H,3-4H2,1-2H3,(H,24,26,30)