N-[2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]ethyl]heptan-1-amine

Systemtic Name: N-[2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]ethyl]heptan-1-amine Openeye Name: N-[2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]ethyl]heptan-1-amine CAS Name: N-[2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]-1-piperazinyl]ethyl]-1-heptanamine IUPAC Name: N-[2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]ethyl]heptan-1-amine Traditional Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]piperazino]ethyl-heptyl-amine Formula: C23H38N4OS MolecularWeight: 418.63902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCCN1CCN(CC1)CCCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCCCCCCNCCN1CCN(CC1)CCCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C23H38N4OS/c1-2-3-4-5-8-12-24-13-15-27-18-16-26(17-19-27)14-9-20-29-23-25-21-10-6-7-11-22(21)28-23/h6-7,10-11,24H,2-5,8-9,12-20H2,1H3