1-(4-ethoxyphenyl)-5-[[(2-methylsulfanylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethoxyphenyl)-5-[[(2-methylsulfanylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethoxyphenyl)-5-[(2-methylsulfanylanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethoxyphenyl)-5-[[2-(methylthio)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethoxyphenyl)-5-[(2-methylsulfanylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2-(methylthio)anilino]methylene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=CC=C3SC)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=CC=C3SC)C(=O)NC2=S

InChI

InChI=1S/C20H19N3O3S2/c1-3-26-14-10-8-13(9-11-14)23-19(25)15(18(24)22-20(23)27)12-21-16-6-4-5-7-17(16)28-2/h4-12,21H,3H2,1-2H3,(H,22,24,27)