N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-2-(8-quinolylthio)acetamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H20ClN3OS/c22-16-8-9-18(25-11-1-2-12-25)17(13-16)24-20(26)14-27-19-7-3-5-15-6-4-10-23-21(15)19/h3-10,13H,1-2,11-12,14H2,(H,24,26)