N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-cyclopropyl-cinchoninamide Formula: C23H21N3OS MolecularWeight: 387.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NCCSCC4=CC=CC=C4C#N

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NCCSCC4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N3OS/c24-14-17-5-1-2-6-18(17)15-28-12-11-25-23(27)20-13-22(16-9-10-16)26-21-8-4-3-7-19(20)21/h1-8,13,16H,9-12,15H2,(H,25,27)