1-adamantyl-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)piperazino]methanone Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H32N4O2S/c1-31-21-4-2-3-17(12-21)13-22-26-24(32-27-22)29-7-5-28(6-8-29)23(30)25-14-18-9-19(15-25)11-20(10-18)16-25/h2-4,12,18-20H,5-11,13-16H2,1H3