3-[4-[bis(4-methylsulfanylphenyl)-oxidanyl-methyl]phenyl]-N-pentyl-propanamide

Systemtic Name: 3-[4-[bis(4-methylsulfanylphenyl)-oxidanyl-methyl]phenyl]-N-pentyl-propanamide Openeye Name: 3-[4-[hydroxy-bis(4-methylsulfanylphenyl)methyl]phenyl]-N-pentyl-propanamide CAS Name: 3-[4-[hydroxy-bis[4-(methylthio)phenyl]methyl]phenyl]-N-pentylpropanamide IUPAC Name: 3-[4-[hydroxy-bis(4-methylsulfanylphenyl)methyl]phenyl]-N-pentylpropanamide Traditional Name: N-amyl-3-[4-[hydroxy-bis[4-(methylthio)phenyl]methyl]phenyl]propionamide Formula: C29H35NO2S2 MolecularWeight: 493.7237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)(C3=CC=C(C=C3)SC)O

Isomeric SMILES

CCCCCNC(=O)CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)(C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C29H35NO2S2/c1-4-5-6-21-30-28(31)20-9-22-7-10-23(11-8-22)29(32,24-12-16-26(33-2)17-13-24)25-14-18-27(34-3)19-15-25/h7-8,10-19,32H,4-6,9,20-21H2,1-3H3,(H,30,31)