N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(3-ethanoylphenyl)sulfanyl-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(3-ethanoylphenyl)sulfanyl-benzamide Openeye Name: 4-(3-acetylphenyl)sulfanyl-N-(1-azabicyclo[2.2.1]heptan-3-yl)benzamide CAS Name: 4-[(3-acetylphenyl)thio]-N-(1-azabicyclo[2.2.1]heptan-3-yl)benzamide IUPAC Name: 4-(3-acetylphenyl)sulfanyl-N-(1-azabicyclo[2.2.1]heptan-3-yl)benzamide Traditional Name: 4-[(3-acetylphenyl)thio]-N-(1-azabicyclo[2.2.1]heptan-3-yl)benzamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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)NC3CN4CCC3C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)NC3CN4CCC3C4

InChI

InChI=1S/C21H22N2O2S/c1-14(24)16-3-2-4-19(11-16)26-18-7-5-15(6-8-18)21(25)22-20-13-23-10-9-17(20)12-23/h2-8,11,17,20H,9-10,12-13H2,1H3,(H,22,25)