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

Systemtic Name: 5-[(3-chloranyl-5-ethoxy-4-octoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-chloro-5-ethoxy-4-octoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-chloro-5-ethoxy-4-octoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-chloro-5-ethoxy-4-octoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-chloro-5-ethoxy-4-octoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C2C(=O)NC(=S)NC2=O)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C2C(=O)NC(=S)NC2=O)OCC

InChI

InChI=1S/C21H27ClN2O4S/c1-3-5-6-7-8-9-10-28-18-16(22)12-14(13-17(18)27-4-2)11-15-19(25)23-21(29)24-20(15)26/h11-13H,3-10H2,1-2H3,(H2,23,24,25,26,29)