2-[2-(1-adamantylsulfanyl)ethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[2-(1-adamantylsulfanyl)ethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[2-(1-adamantylsulfanyl)acetyl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[2-(1-adamantylthio)-1-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[[2-(1-adamantylsulfanyl)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[2-(1-adamantylthio)acetyl]-ethyl-amino]-N-(4-fluorobenzyl)acetamide Formula: C23H31FN2O2S MolecularWeight: 418.567843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31FN2O2S/c1-2-26(14-21(27)25-13-16-3-5-20(24)6-4-16)22(28)15-29-23-10-17-7-18(11-23)9-19(8-17)12-23/h3-6,17-19H,2,7-15H2,1H3,(H,25,27)