2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(4-tert-butylphenyl)benzamide

Systemtic Name: 2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(4-tert-butylphenyl)benzamide Openeye Name: 2-[(2-amino-4-pyridyl)methylsulfanyl]-N-(4-tert-butylphenyl)benzamide CAS Name: 2-[(2-amino-4-pyridinyl)methylthio]-N-(4-tert-butylphenyl)benzamide IUPAC Name: 2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-(4-tert-butylphenyl)benzamide Traditional Name: 2-[(2-amino-4-pyridyl)methylthio]-N-(4-tert-butylphenyl)benzamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=CC(=NC=C3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=CC(=NC=C3)N

InChI

InChI=1S/C23H25N3OS/c1-23(2,3)17-8-10-18(11-9-17)26-22(27)19-6-4-5-7-20(19)28-15-16-12-13-25-21(24)14-16/h4-14H,15H2,1-3H3,(H2,24,25)(H,26,27)