(5E)-1-(4-ethylphenyl)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(4-ethylphenyl)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(4-ethylphenyl)-5-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(4-ethylphenyl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(4-ethylphenyl)-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(4-ethylphenyl)-5-(3-methoxy-4-propargyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)OC)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OCC#C)OC)/C(=O)NC2=S

InChI

InChI=1S/C23H20N2O4S/c1-4-12-29-19-11-8-16(14-20(19)28-3)13-18-21(26)24-23(30)25(22(18)27)17-9-6-15(5-2)7-10-17/h1,6-11,13-14H,5,12H2,2-3H3,(H,24,26,30)/b18-13+