2-(1-adamantylsulfanyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantylthio)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantylthio)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H28N2O2S2 MolecularWeight: 404.58922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CSC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C21H28N2O2S2/c24-19(14-27-21-11-15-8-16(12-21)10-17(9-15)13-21)22-3-5-23(6-4-22)20(25)18-2-1-7-26-18/h1-2,7,15-17H,3-6,8-14H2