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

Systemtic Name: 5-[(4-butoxy-3-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-butoxy-3-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-butoxy-3-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OC

InChI

InChI=1S/C16H18N2O4S/c1-3-4-7-22-12-6-5-10(9-13(12)21-2)8-11-14(19)17-16(23)18-15(11)20/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,18,19,20,23)