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

Systemtic Name: 1-adamantyl-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]methanone CAS Name: 1-adamantyl-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]methanone Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4OS/c1-17-16-28(24-26-22(27-31-24)12-18-5-3-2-4-6-18)7-8-29(17)23(30)25-13-19-9-20(14-25)11-21(10-19)15-25/h2-6,17,19-21H,7-16H2,1H3