2-(1-adamantyl)-1-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[4-(p-tolyl)thiazol-2-yl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[4-(4-methylphenyl)-2-thiazolyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[4-(p-tolyl)thiazol-2-yl]piperazino]ethanone Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H33N3OS/c1-18-2-4-22(5-3-18)23-17-31-25(27-23)29-8-6-28(7-9-29)24(30)16-26-13-19-10-20(14-26)12-21(11-19)15-26/h2-5,17,19-21H,6-16H2,1H3