2-[4-(2-azanyl-1-sulfanyl-ethyl)-3-methoxy-phenyl]-N-[(E)-octadec-1-enyl]ethanamide

Systemtic Name: 2-[4-(2-azanyl-1-sulfanyl-ethyl)-3-methoxy-phenyl]-N-[(E)-octadec-1-enyl]ethanamide Openeye Name: 2-[4-(2-amino-1-sulfanyl-ethyl)-3-methoxy-phenyl]-N-[(E)-octadec-1-enyl]acetamide CAS Name: 2-[4-(2-amino-1-mercaptoethyl)-3-methoxyphenyl]-N-[(E)-octadec-1-enyl]acetamide IUPAC Name: 2-[4-(2-amino-1-sulfanylethyl)-3-methoxyphenyl]-N-[(E)-octadec-1-enyl]acetamide Traditional Name: 2-[4-(2-amino-1-mercapto-ethyl)-3-methoxy-phenyl]-N-[(E)-octadec-1-enyl]acetamide Formula: C29H50N2O2S MolecularWeight: 490.7845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CNC(=O)CC1=CC(=C(C=C1)C(CN)S)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/NC(=O)CC1=CC(=C(C=C1)C(CN)S)OC

InChI

InChI=1S/C29H50N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-29(32)23-25-19-20-26(28(34)24-30)27(22-25)33-2/h18-22,28,34H,3-17,23-24,30H2,1-2H3,(H,31,32)/b21-18+