N-[(E)-(2-methyl-1-pyridin-2-yl-propylidene)amino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide

Systemtic Name: N-[(E)-(2-methyl-1-pyridin-2-yl-propylidene)amino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: N-[(E)-[2-methyl-1-(2-pyridyl)propylidene]amino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: N-[(E)-[2-methyl-1-(2-pyridinyl)propylidene]amino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: N-[(E)-(2-methyl-1-pyridin-2-ylpropylidene)amino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: N-[(E)-[2-methyl-1-(2-pyridyl)propylidene]amino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C18H26N4S MolecularWeight: 330.49084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)/C(=N\NC(=S)N1CC2CCC(C1)CC2)/C3=CC=CC=N3

InChI

InChI=1S/C18H26N4S/c1-13(2)17(16-5-3-4-10-19-16)20-21-18(23)22-11-14-6-7-15(12-22)9-8-14/h3-5,10,13-15H,6-9,11-12H2,1-2H3,(H,21,23)/b20-17+