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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]quinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-(3-phthalimidopropylthio)cinchoninamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H21N3O3S/c28-22(25-15-10-11-15)19-14-21(26-20-9-4-3-6-16(19)20)31-13-5-12-27-23(29)17-7-1-2-8-18(17)24(27)30/h1-4,6-9,14-15H,5,10-13H2,(H,25,28)