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

Systemtic Name: 1-adamantyl-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[2-methyl-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[2-methyl-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]methanone Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C5=NC(=NS5)CC6=CC=C(C=C6)C

Isomeric SMILES

CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C5=NC(=NS5)CC6=CC=C(C=C6)C

InChI

InChI=1S/C26H34N4OS/c1-17-3-5-19(6-4-17)12-23-27-25(32-28-23)29-7-8-30(18(2)16-29)24(31)26-13-20-9-21(14-26)11-22(10-20)15-26/h3-6,18,20-22H,7-16H2,1-2H3