1-[2-[2-(1-adamantyl)ethyl]-4-methyl-3-(2-methylsulfanylethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-[2-[2-(1-adamantyl)ethyl]-4-methyl-3-(2-methylsulfanylethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[2-[2-(1-adamantyl)ethyl]-4-methyl-3-(2-methylsulfanylethyl)piperazin-1-yl]propan-1-one CAS Name: 1-[2-[2-(1-adamantyl)ethyl]-4-methyl-3-[2-(methylthio)ethyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[2-[2-(1-adamantyl)ethyl]-4-methyl-3-(2-methylsulfanylethyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[2-[2-(1-adamantyl)ethyl]-4-methyl-3-[2-(methylthio)ethyl]piperazino]propan-1-one Formula: C23H40N2OS MolecularWeight: 392.6415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCC23CC4CC(C2)CC(C4)C3)CCSC)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCC23CC4CC(C2)CC(C4)C3)CCSC)C

InChI

InChI=1S/C23H40N2OS/c1-4-22(26)25-9-8-24(2)20(6-10-27-3)21(25)5-7-23-14-17-11-18(15-23)13-19(12-17)16-23/h17-21H,4-16H2,1-3H3