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

Systemtic Name: 1-(3-chlorophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chlorophenyl)-5-[(2,4-diethoxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chlorophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chlorophenyl)-5-[(2,4-diethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chlorophenyl)-5-(2,4-diethoxybenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19ClN2O4S MolecularWeight: 430.90456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S/c1-3-27-16-9-8-13(18(12-16)28-4-2)10-17-19(25)23-21(29)24(20(17)26)15-7-5-6-14(22)11-15/h5-12H,3-4H2,1-2H3,(H,23,25,29)