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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[2-(3-phenylpropoxy)phenyl]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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=C2OCCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O3S/c1-2-31-23-17-14-22(15-18-23)16-19-26(30)29-27(33)28-24-12-6-7-13-25(24)32-20-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-19H,2,8,11,20H2,1H3,(H2,28,29,30,33)/b19-16+