(Z)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-cyano-prop-2-enethioamide

Systemtic Name: (Z)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-2-cyano-prop-2-enethioamide Openeye Name: (Z)-3-(3-bromo-4,5-dimethoxy-phenyl)-N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-2-cyano-prop-2-enethioamide CAS Name: (Z)-3-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-cyano-2-propenethioamide IUPAC Name: (Z)-3-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-cyanoprop-2-enethioamide Traditional Name: (Z)-N-(3-bromo-4,5-dimethoxy-benzyl)-3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-thioacrylamide Formula: C21H20Br2N2O4S MolecularWeight: 556.2675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC(=S)C(=CC2=CC(=C(C(=C2)Br)OC)OC)C#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC(=S)/C(=C\C2=CC(=C(C(=C2)Br)OC)OC)/C#N)Br)OC

InChI

InChI=1S/C21H20Br2N2O4S/c1-26-17-8-12(6-15(22)19(17)28-3)5-14(10-24)21(30)25-11-13-7-16(23)20(29-4)18(9-13)27-2/h5-9H,11H2,1-4H3,(H,25,30)/b14-5-