2-[4-[6,6-bis(4-fluorophenyl)hexyl]piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[6,6-bis(4-fluorophenyl)hexyl]piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[6,6-bis(4-fluorophenyl)hexyl]piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[6,6-bis(4-fluorophenyl)hexyl]-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-[4-[6,6-bis(4-fluorophenyl)hexyl]piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-[6,6-bis(4-fluorophenyl)hexyl]piperazino]-1,3-benzothiazole Formula: C29H31F2N3S MolecularWeight: 491.638346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CCCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H31F2N3S/c30-24-13-9-22(10-14-24)26(23-11-15-25(31)16-12-23)6-2-1-5-17-33-18-20-34(21-19-33)29-32-27-7-3-4-8-28(27)35-29/h3-4,7-16,26H,1-2,5-6,17-21H2