N-(3-azabicyclo[2.2.1]heptan-5-yl)-4-(3-ethanoylphenyl)sulfanyl-benzamide

Systemtic Name: N-(3-azabicyclo[2.2.1]heptan-5-yl)-4-(3-ethanoylphenyl)sulfanyl-benzamide Openeye Name: 4-(3-acetylphenyl)sulfanyl-N-(3-azabicyclo[2.2.1]heptan-5-yl)benzamide CAS Name: 4-[(3-acetylphenyl)thio]-N-(3-azabicyclo[2.2.1]heptan-5-yl)benzamide IUPAC Name: 4-(3-acetylphenyl)sulfanyl-N-(3-azabicyclo[2.2.1]heptan-5-yl)benzamide Traditional Name: 4-[(3-acetylphenyl)thio]-N-(3-azabicyclo[2.2.1]heptan-5-yl)benzamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)NC3CC4CC3NC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)C(=O)NC3CC4CC3NC4

InChI

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