2-[2-(1-adamantyl)ethylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2-(1-adamantyl)ethylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[2-(1-adamantyl)ethylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[2-(1-adamantyl)ethylthio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(1-adamantyl)ethylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[2-(1-adamantyl)ethylthio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N2O2S/c1-29-23-4-2-22(3-5-23)26-7-9-27(10-8-26)24(28)18-30-11-6-25-15-19-12-20(16-25)14-21(13-19)17-25/h2-5,19-21H,6-18H2,1H3