1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone Openeye Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]ethanone CAS Name: 1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]ethanone IUPAC Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone Traditional Name: 1-[4-(adamantane-1-carbonyl)piperazino]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]ethanone Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O3S/c1-15-20(16(2)29-24-15)13-30-14-21(27)25-3-5-26(6-4-25)22(28)23-10-17-7-18(11-23)9-19(8-17)12-23/h17-19H,3-14H2,1-2H3