1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(adamantane-1-carbonyl)piperazino]-2-[(3-methylbenzyl)thio]ethanone Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O2S/c1-18-3-2-4-19(9-18)16-30-17-23(28)26-5-7-27(8-6-26)24(29)25-13-20-10-21(14-25)12-22(11-20)15-25/h2-4,9,20-22H,5-8,10-17H2,1H3