N-cyclopropyl-2-(quinolin-8-ylmethylsulfanyl)quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-(quinolin-8-ylmethylsulfanyl)quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-(8-quinolylmethylsulfanyl)quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-(8-quinolinylmethylthio)-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-(quinolin-8-ylmethylsulfanyl)quinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-(8-quinolylmethylthio)cinchoninamide Formula: C23H19N3OS MolecularWeight: 385.48146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C23H19N3OS/c27-23(25-17-10-11-17)19-13-21(26-20-9-2-1-8-18(19)20)28-14-16-6-3-5-15-7-4-12-24-22(15)16/h1-9,12-13,17H,10-11,14H2,(H,25,27)