5-[(3-chloranyl-5-ethoxy-4-hexoxy-phenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-chloranyl-5-ethoxy-4-hexoxy-phenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-chloro-5-ethoxy-4-hexoxy-phenyl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-chloro-5-ethoxy-4-hexoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-chloro-5-ethoxy-4-hexoxyphenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-chloro-5-ethoxy-4-hexoxy-benzylidene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H27ClN2O4S MolecularWeight: 487.01088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Cl)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Cl)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C25H27ClN2O4S/c1-3-5-6-10-13-32-22-20(26)15-17(16-21(22)31-4-2)14-19-23(29)27-25(33)28(24(19)30)18-11-8-7-9-12-18/h7-9,11-12,14-16H,3-6,10,13H2,1-2H3,(H,27,29,33)