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

Systemtic Name: 5-[[3-chloranyl-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5S/c1-2-27-17-12-13(10-15-19(25)23-21(30)24-20(15)26)11-16(22)18(17)29-9-8-28-14-6-4-3-5-7-14/h3-7,10-12H,2,8-9H2,1H3,(H2,23,24,25,26,30)