N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-(2-pyridin-2-ylethylsulfanyl)propanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-3-(2-pyridin-2-ylethylsulfanyl)propanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-3-[2-(2-pyridyl)ethylsulfanyl]propanamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-3-[2-(2-pyridinyl)ethylthio]propanamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-3-[2-(2-pyridyl)ethylthio]propionamide Formula: C23H21ClN2O2S MolecularWeight: 424.94304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCSCCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCSCCC3=CC=CC=N3

InChI

InChI=1S/C23H21ClN2O2S/c24-18-9-10-21(20(16-18)23(28)17-6-2-1-3-7-17)26-22(27)12-15-29-14-11-19-8-4-5-13-25-19/h1-10,13,16H,11-12,14-15H2,(H,26,27)