(E)-3-(4-ethoxyphenyl)-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[(3-isobutoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[3-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(3-isobutoxyphenyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C22H26N2O3S/c1-4-26-19-11-8-17(9-12-19)10-13-21(25)24-22(28)23-18-6-5-7-20(14-18)27-15-16(2)3/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,28)/b13-10+