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

Systemtic Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazinyl]-2-(1H-benzimidazol-2-ylthio)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazino]-2-(1H-benzimidazol-2-ylthio)ethanone Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H30N4OS/c28-21(15-29-22-24-19-3-1-2-4-20(19)25-22)26-5-7-27(8-6-26)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2,(H,24,25)