1-[4-(1-adamantyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-ylthio)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazino]-2-(1,3-benzothiazol-2-ylthio)ethanone Formula: C23H29N3OS2 MolecularWeight: 427.62586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H29N3OS2/c27-21(15-28-22-24-19-3-1-2-4-20(19)29-22)25-5-7-26(8-6-25)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2