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

Systemtic Name: 5-[(5-chloranyl-2-octoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-chloro-2-octoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-chloro-2-octoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-chloro-2-octoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-chloro-2-octoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H23ClN2O3S MolecularWeight: 394.91552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)Cl)C=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)Cl)C=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C19H23ClN2O3S/c1-2-3-4-5-6-7-10-25-16-9-8-14(20)11-13(16)12-15-17(23)21-19(26)22-18(15)24/h8-9,11-12H,2-7,10H2,1H3,(H2,21,22,23,24,26)