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

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)benzamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-(4-chlorophenyl)benzamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(4-chlorophenyl)benzamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-(4-chlorophenyl)benzamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S/c1-14(26)24-20-12-15(10-11-23-20)13-28-19-5-3-2-4-18(19)21(27)25-17-8-6-16(22)7-9-17/h2-12H,13H2,1H3,(H,25,27)(H,23,24,26)