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

Systemtic Name: 5-[(3-methoxy-4-phenethyloxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-methoxy-4-phenethyloxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-methoxy-4-phenethyloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-methoxy-4-phenethyloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-methoxy-4-phenethyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-25-17-12-14(11-15-18(23)21-20(27)22-19(15)24)7-8-16(17)26-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H2,21,22,23,24,27)