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

Systemtic Name: 5-[(4-hexoxy-3-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-hexoxy-3-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-hexoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-hexoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-hexoxy-3-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC

InChI

InChI=1S/C18H22N2O4S/c1-3-4-5-6-9-24-14-8-7-12(11-15(14)23-2)10-13-16(21)19-18(25)20-17(13)22/h7-8,10-11H,3-6,9H2,1-2H3,(H2,19,20,21,22,25)