N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(3-ethanoylphenyl)sulfanyl-benzamide

Systemtic Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-4-(3-ethanoylphenyl)sulfanyl-benzamide Openeye Name: 4-(3-acetylphenyl)sulfanyl-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide CAS Name: 4-[(3-acetylphenyl)thio]-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide IUPAC Name: 4-(3-acetylphenyl)sulfanyl-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide Traditional Name: 4-[(3-acetylphenyl)thio]-N-(1-azabicyclo[3.2.2]nonan-3-yl)benzamide Formula: C23H26N2O2S MolecularWeight: 394.52974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)NC3CC4CCN(C3)CC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)NC3CC4CCN(C3)CC4

InChI

InChI=1S/C23H26N2O2S/c1-16(26)19-3-2-4-22(14-19)28-21-7-5-18(6-8-21)23(27)24-20-13-17-9-11-25(15-20)12-10-17/h2-8,14,17,20H,9-13,15H2,1H3,(H,24,27)