2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]quinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-(4-phthalimidobutylthio)cinchoninamide Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H23N3O3S/c29-23(26-16-11-12-16)20-15-22(27-21-10-4-3-7-17(20)21)32-14-6-5-13-28-24(30)18-8-1-2-9-19(18)25(28)31/h1-4,7-10,15-16H,5-6,11-14H2,(H,26,29)