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

Systemtic Name: (5E)-5-[(4-methoxy-3-phenylmethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(3-benzyloxy-4-methoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(3-benzoxy-4-methoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-3-11-24-21(26)17(20(25)23-22(24)29)12-16-9-10-18(27-2)19(13-16)28-14-15-7-5-4-6-8-15/h3-10,12-13H,1,11,14H2,2H3,(H,23,25,29)/b17-12+