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

Systemtic Name: 5-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-ethoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-2-26-18-13-14(12-16-19(24)22-21(29)23-20(16)25)8-9-17(18)28-11-10-27-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11H2,1H3,(H2,22,23,24,25,29)