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

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(4-tert-butylphenyl)benzamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(4-tert-butylphenyl)benzamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-(4-tert-butylphenyl)benzamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(4-tert-butylphenyl)benzamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-(4-tert-butylphenyl)benzamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H27N3O2S/c1-17(29)27-23-15-18(13-14-26-23)16-31-22-8-6-5-7-21(22)24(30)28-20-11-9-19(10-12-20)25(2,3)4/h5-15H,16H2,1-4H3,(H,28,30)(H,26,27,29)