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

Systemtic Name: 3-[3-(3-hept-1-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one Openeye Name: 3-[3-(3-hept-1-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one CAS Name: 3-[3-(3-hept-1-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[3-(3-hept-1-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one Traditional Name: 3-[3-(3-hept-1-ynyl-8-azabicyclo[3.2.1]oct-3-en-8-yl)propyl]-1,3-benzothiazol-2-one Formula: C24H30N2OS MolecularWeight: 394.5728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC2CCC(C1)N2CCCN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CCCCCC#CC1=CC2CCC(C1)N2CCCN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C24H30N2OS/c1-2-3-4-5-6-10-19-17-20-13-14-21(18-19)25(20)15-9-16-26-22-11-7-8-12-23(22)28-24(26)27/h7-8,11-12,17,20-21H,2-5,9,13-16,18H2,1H3