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

Systemtic Name: (5E)-5-[(3-bromanyl-4-phenylmethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(4-benzyloxy-3-bromo-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(4-benzoxy-3-bromo-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)/C(=O)NC1=S

InChI

InChI=1S/C21H17BrN2O3S/c1-2-10-24-20(26)16(19(25)23-21(24)28)11-15-8-9-18(17(22)12-15)27-13-14-6-4-3-5-7-14/h2-9,11-12H,1,10,13H2,(H,23,25,28)/b16-11+