N-[4-(phenylsulfanylmethyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide

Systemtic Name: N-[4-(phenylsulfanylmethyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide Openeye Name: N-[4-(phenylsulfanylmethyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide CAS Name: N-[4-[(phenylthio)methyl]phenyl]-2-(2,3,5-trimethylphenoxy)propanamide IUPAC Name: N-[4-(phenylsulfanylmethyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide Traditional Name: N-[4-[(phenylthio)methyl]phenyl]-2-(2,3,5-trimethylphenoxy)propionamide Formula: C25H27NO2S MolecularWeight: 405.55238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(C)C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(C)C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)C)C

InChI

InChI=1S/C25H27NO2S/c1-17-14-18(2)19(3)24(15-17)28-20(4)25(27)26-22-12-10-21(11-13-22)16-29-23-8-6-5-7-9-23/h5-15,20H,16H2,1-4H3,(H,26,27)