2-[4-[[5-(2-chlorophenyl)sulfanyl-6-methoxy-quinolin-8-yl]amino]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[[5-(2-chlorophenyl)sulfanyl-6-methoxy-quinolin-8-yl]amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[4-[[5-(2-chlorophenyl)sulfanyl-6-methoxy-8-quinolyl]amino]pentyl]isoindoline-1,3-dione CAS Name: 2-[4-[[5-[(2-chlorophenyl)thio]-6-methoxy-8-quinolinyl]amino]pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-[[5-(2-chlorophenyl)sulfanyl-6-methoxyquinolin-8-yl]amino]pentyl]isoindole-1,3-dione Traditional Name: 2-[4-[[5-[(2-chlorophenyl)thio]-6-methoxy-8-quinolyl]amino]pentyl]isoindoline-1,3-quinone Formula: C29H26ClN3O3S MolecularWeight: 532.05304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=CC(=C(C4=C3N=CC=C4)SC5=CC=CC=C5Cl)OC

Isomeric SMILES

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=CC(=C(C4=C3N=CC=C4)SC5=CC=CC=C5Cl)OC

InChI

InChI=1S/C29H26ClN3O3S/c1-18(9-8-16-33-28(34)19-10-3-4-11-20(19)29(33)35)32-23-17-24(36-2)27(21-12-7-15-31-26(21)23)37-25-14-6-5-13-22(25)30/h3-7,10-15,17-18,32H,8-9,16H2,1-2H3