3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1,2-benzothiazole

Systemtic Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1,2-benzothiazole Openeye Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidyl]-1,2-benzothiazole CAS Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,2-benzothiazole IUPAC Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1,2-benzothiazole Traditional Name: 3-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidyl]-1,2-benzothiazole Formula: C28H28F2N2S MolecularWeight: 462.597126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NSC3=CC=CC=C32)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCC1C2=NSC3=CC=CC=C32)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H28F2N2S/c29-23-11-7-20(8-12-23)25(21-9-13-24(30)14-10-21)5-3-17-32-18-15-22(16-19-32)28-26-4-1-2-6-27(26)33-31-28/h1-2,4,6-14,22,25H,3,5,15-19H2