N-(1-adamantyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide CAS Name: N-(1-adamantyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: N-(1-adamantyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Traditional Name: N-(1-adamantyl)-4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Formula: C25H33N5OS MolecularWeight: 451.62742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N5OS/c1-17-2-4-18(5-3-17)13-22-26-24(32-28-22)30-8-6-29(7-9-30)23(31)27-25-14-19-10-20(15-25)12-21(11-19)16-25/h2-5,19-21H,6-16H2,1H3,(H,27,31)