1-adamantyl-[4-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25F2N3OS MolecularWeight: 417.515206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H25F2N3OS/c23-16-8-17(24)19-18(9-16)29-21(25-19)27-3-1-26(2-4-27)20(28)22-10-13-5-14(11-22)7-15(6-13)12-22/h8-9,13-15H,1-7,10-12H2