N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-isoquinolin-1-ylsulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1-isoquinolylthio)acetamide Formula: C24H17ClN2O2S MolecularWeight: 432.92198

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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)CSC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CSC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C24H17ClN2O2S/c25-18-10-11-21(20(14-18)23(29)17-7-2-1-3-8-17)27-22(28)15-30-24-19-9-5-4-6-16(19)12-13-26-24/h1-14H,15H2,(H,27,28)