N-(2-ethyl-6-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C27H28N2O2S MolecularWeight: 444.58842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C27H28N2O2S/c1-4-22-13-8-10-19(2)26(22)29-27(31)20(3)32-24-15-9-14-23(18-24)28-25(30)17-16-21-11-6-5-7-12-21/h5-18,20H,4H2,1-3H3,(H,28,30)(H,29,31)/b17-16+