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

Systemtic Name: 2-(1-adamantyl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]ethanone CAS Name: 2-(1-adamantyl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]ethanone Formula: C24H30N2OS MolecularWeight: 394.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C24H30N2OS/c27-22(14-24-11-16-8-17(12-24)10-18(9-16)13-24)26-7-3-4-19(15-26)23-25-20-5-1-2-6-21(20)28-23/h1-2,5-6,16-19H,3-4,7-15H2/t16?,17?,18?,19-,24?/m0/s1