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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-bromanyl-2-fluoranyl-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(4-bromo-2-fluoro-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-bromo-2-fluorophenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(4-bromo-2-fluoro-phenoxy)ethanone Formula: C20H18BrFN2O2S MolecularWeight: 449.336523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)COC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)COC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C20H18BrFN2O2S/c21-14-5-6-17(15(22)11-14)26-12-19(25)24-9-7-13(8-10-24)20-23-16-3-1-2-4-18(16)27-20/h1-6,11,13H,7-10,12H2