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

Systemtic Name: 1-(4-chlorophenyl)-5-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-allyloxy-3-iodo-5-methoxy-phenyl)methylene]-1-(4-chlorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-chlorophenyl)-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-chlorophenyl)-5-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-allyloxy-3-iodo-5-methoxy-benzylidene)-1-(4-chlorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H16ClIN2O4S MolecularWeight: 554.78521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)I)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)I)OCC=C

InChI

InChI=1S/C21H16ClIN2O4S/c1-3-8-29-18-16(23)10-12(11-17(18)28-2)9-15-19(26)24-21(30)25(20(15)27)14-6-4-13(22)5-7-14/h3-7,9-11H,1,8H2,2H3,(H,24,26,30)