N-[(E)-1-quinolin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide

Systemtic Name: N-[(E)-1-quinolin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: N-[(E)-1-(2-quinolyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: N-[(E)-1-(2-quinolinyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: N-[(E)-1-quinolin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: N-[(E)-1-(2-quinolyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C20H24N4S MolecularWeight: 352.49636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=N\NC(=S)N1CC2CCC(C1)CC2)/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H24N4S/c1-14(18-11-10-17-4-2-3-5-19(17)21-18)22-23-20(25)24-12-15-6-7-16(13-24)9-8-15/h2-5,10-11,15-16H,6-9,12-13H2,1H3,(H,23,25)/b22-14+