1-[4-(1-adamantyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-(1-adamantyl)piperazino]-2-(2-quinolylthio)ethanone Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H31N3OS/c29-24(17-30-23-6-5-21-3-1-2-4-22(21)26-23)27-7-9-28(10-8-27)25-14-18-11-19(15-25)13-20(12-18)16-25/h1-6,18-20H,7-17H2