2-(3-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[2-(1-pyrrolidinyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-(2-pyrrolidinoethyl)cinchoninamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3OS/c23-16-6-5-7-17(14-16)28-21-15-19(18-8-1-2-9-20(18)25-21)22(27)24-10-13-26-11-3-4-12-26/h1-2,5-9,14-15H,3-4,10-13H2,(H,24,27)