(Z)-3-[3,4-bis(oxidanyl)-5-[(phenylmethylsulfanyl)methyl]phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (Z)-3-[3,4-bis(oxidanyl)-5-[(phenylmethylsulfanyl)methyl]phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-3-[3-(benzylsulfanylmethyl)-4,5-dihydroxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (Z)-2-cyano-3-[3,4-dihydroxy-5-[(phenylmethylthio)methyl]phenyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-3-[3-(benzylsulfanylmethyl)-4,5-dihydroxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (Z)-N-benzyl-3-[3-[(benzylthio)methyl]-4,5-dihydroxy-phenyl]-2-cyano-acrylamide Formula: C25H22N2O3S MolecularWeight: 430.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C(=C2)O)O)CSCC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC(=C(C(=C2)O)O)CSCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H22N2O3S/c26-14-21(25(30)27-15-18-7-3-1-4-8-18)11-20-12-22(24(29)23(28)13-20)17-31-16-19-9-5-2-6-10-19/h1-13,28-29H,15-17H2,(H,27,30)/b21-11-