2-[4-[(4-methyl-6-methylsulfanyl-quinolin-8-yl)amino]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(4-methyl-6-methylsulfanyl-quinolin-8-yl)amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-methyl-6-methylsulfanyl-8-quinolyl)amino]pentyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-methyl-6-(methylthio)-8-quinolinyl]amino]pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-methyl-6-methylsulfanylquinolin-8-yl)amino]pentyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4-methyl-6-(methylthio)-8-quinolyl]amino]pentyl]isoindoline-1,3-quinone Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=C(C2=NC=C1)NC(C)CCCN3C(=O)C4=CC=CC=C4C3=O)SC

Isomeric SMILES

CC1=C2C=C(C=C(C2=NC=C1)NC(C)CCCN3C(=O)C4=CC=CC=C4C3=O)SC

InChI

InChI=1S/C24H25N3O2S/c1-15-10-11-25-22-20(15)13-17(30-3)14-21(22)26-16(2)7-6-12-27-23(28)18-8-4-5-9-19(18)24(27)29/h4-5,8-11,13-14,16,26H,6-7,12H2,1-3H3