4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole

Systemtic Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole Openeye Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2-(1,3-benzodioxol-5-yl)thiazole CAS Name: 4-[[4-(2-adamantyl)-1-piperazinyl]methyl]-2-(1,3-benzodioxol-5-yl)thiazole IUPAC Name: 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole Traditional Name: 4-[[4-(2-adamantyl)piperazino]methyl]-2-(1,3-benzodioxol-5-yl)thiazole Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5C6CC7CC(C6)CC5C7

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C25H31N3O2S/c1-2-22-23(30-15-29-22)12-18(1)25-26-21(14-31-25)13-27-3-5-28(6-4-27)24-19-8-16-7-17(10-19)11-20(24)9-16/h1-2,12,14,16-17,19-20,24H,3-11,13,15H2