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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC(=NS5)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC(=NS5)CC6=CC=CC=C6

InChI

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