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

Systemtic Name: (5Z)-5-[(4-ethoxy-3-iodanyl-5-methoxy-phenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-5-[(4-ethoxy-3-iodo-5-methoxy-phenyl)methylene]-1-(3-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-5-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-5-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-5-(4-ethoxy-3-iodo-5-methoxy-benzylidene)-1-m-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H21IN2O5S MolecularWeight: 552.38201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21IN2O5S/c1-4-29-15-8-6-7-14(12-15)25-21(27)16(20(26)24-22(25)31)9-13-10-17(23)19(30-5-2)18(11-13)28-3/h6-12H,4-5H2,1-3H3,(H,24,26,31)/b16-9-