S-[2-[3-[2-(1-adamantyl)ethyl]-4-methyl-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[3-[2-(1-adamantyl)ethyl]-4-methyl-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate Openeye Name: S-[2-[3-[2-(1-adamantyl)ethyl]-4-methyl-1-propanoyl-piperazin-2-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[2-(1-adamantyl)ethyl]-4-methyl-1-(1-oxopropyl)-2-piperazinyl]ethyl] ester IUPAC Name: S-[2-[3-[2-(1-adamantyl)ethyl]-4-methyl-1-propanoylpiperazin-2-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-[2-(1-adamantyl)ethyl]-4-methyl-1-propionyl-piperazin-2-yl]ethyl] ester Formula: C24H40N2O2S MolecularWeight: 420.6516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1CCSC(=O)C)CCC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC(=O)N1CCN(C(C1CCSC(=O)C)CCC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C24H40N2O2S/c1-4-23(28)26-9-8-25(3)21(22(26)6-10-29-17(2)27)5-7-24-14-18-11-19(15-24)13-20(12-18)16-24/h18-22H,4-16H2,1-3H3