N-[2-(1-adamantyl)ethyl]-N-pentyl-2-(2-pyridin-4-ylethylsulfanyl)propanamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-N-pentyl-2-(2-pyridin-4-ylethylsulfanyl)propanamide Openeye Name: N-[2-(1-adamantyl)ethyl]-N-pentyl-2-[2-(4-pyridyl)ethylsulfanyl]propanamide CAS Name: N-[2-(1-adamantyl)ethyl]-N-pentyl-2-(2-pyridin-4-ylethylthio)propanamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-N-pentyl-2-(2-pyridin-4-ylethylsulfanyl)propanamide Traditional Name: N-[2-(1-adamantyl)ethyl]-N-amyl-2-[2-(4-pyridyl)ethylthio]propionamide Formula: C27H42N2OS MolecularWeight: 442.70018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)C(C)SCCC4=CC=NC=C4

Isomeric SMILES

CCCCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)C(C)SCCC4=CC=NC=C4

InChI

InChI=1S/C27H42N2OS/c1-3-4-5-12-29(26(30)21(2)31-14-8-22-6-10-28-11-7-22)13-9-27-18-23-15-24(19-27)17-25(16-23)20-27/h6-7,10-11,21,23-25H,3-5,8-9,12-20H2,1-2H3