N-butyl-8-[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-methyl-octanamide

Systemtic Name: N-butyl-8-[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-methyl-octanamide Openeye Name: N-butyl-8-[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-methyl-octanamide CAS Name: N-butyl-8-[[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]-N-methyloctanamide IUPAC Name: N-butyl-8-[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]sulfanyl-N-methyloctanamide Traditional Name: N-butyl-8-[[2-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]-N-methyl-caprylamide Formula: C28H41NO3S MolecularWeight: 471.69504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CCCCCCCSC(CC1=CC=C(C=C1)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN(C)C(=O)CCCCCCCSC(CC1=CC=C(C=C1)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C28H41NO3S/c1-4-5-20-29(2)28(31)11-9-7-6-8-10-21-33-27(22-23-12-16-25(30)17-13-23)24-14-18-26(32-3)19-15-24/h12-19,27,30H,4-11,20-22H2,1-3H3