1-[4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone

Systemtic Name: 1-[4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone Openeye Name: 1-[4-[5-(1-octyl-4-piperidyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone CAS Name: 1-[4-[5-(1-octyl-4-piperidinyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone IUPAC Name: 1-[4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone Traditional Name: 1-[4-[5-(1-octyl-4-piperidyl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone Formula: C23H33N3OS MolecularWeight: 399.59262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCCCCCN1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H33N3OS/c1-3-4-5-6-7-8-15-26-16-13-21(14-17-26)23-25-24-22(28-23)20-11-9-19(10-12-20)18(2)27/h9-12,21H,3-8,13-17H2,1-2H3