3-[3-(5-hex-3-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[3-(5-hex-3-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one Openeye Name: 3-[3-(5-hex-3-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one CAS Name: 3-[3-(5-hex-3-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[3-(5-hex-3-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one Traditional Name: 3-[3-(5-hex-3-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCC12CCC(N1CCCN3C4=CC=CC=C4SC3=O)CC=C2

Isomeric SMILES

CCC#CCCC12CCC(N1CCCN3C4=CC=CC=C4SC3=O)CC=C2

InChI

InChI=1S/C23H28N2OS/c1-2-3-4-7-14-23-15-8-10-19(13-16-23)25(23)18-9-17-24-20-11-5-6-12-21(20)27-22(24)26/h5-6,8,11-12,15,19H,2,7,9-10,13-14,16-18H2,1H3