1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-bromanyl-1-adamantyl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-bromanyl-1-adamantyl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3-bromo-1-adamantyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3-bromo-1-adamantyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-bromo-1-adamantyl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(3-bromo-1-adamantyl)ethanone Formula: C24H29BrN2OS MolecularWeight: 473.46886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CC45CC6CC(C4)CC(C6)(C5)Br

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CC45CC6CC(C4)CC(C6)(C5)Br

InChI

InChI=1S/C24H29BrN2OS/c25-24-12-16-9-17(13-24)11-23(10-16,15-24)14-21(28)27-7-5-18(6-8-27)22-26-19-3-1-2-4-20(19)29-22/h1-4,16-18H,5-15H2