5-(1-adamantyl)-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(1-adamantyl)-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(1-adamantyl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(1-adamantyl)-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(1-adamantyl)-3-[(4-benzylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(1-adamantyl)-3-[(4-benzylpiperazino)methyl]-1,3,4-oxadiazole-2-thione Formula: C24H32N4OS MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H32N4OS/c30-23-28(17-27-8-6-26(7-9-27)16-18-4-2-1-3-5-18)25-22(29-23)24-13-19-10-20(14-24)12-21(11-19)15-24/h1-5,19-21H,6-17H2