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

Systemtic Name: 2-[4-[[6-methoxy-5-(4-methoxyphenyl)sulfanyl-quinolin-8-yl]amino]pentyl]isoindole-1,3-dione Openeye Name: 2-[4-[[6-methoxy-5-(4-methoxyphenyl)sulfanyl-8-quinolyl]amino]pentyl]isoindoline-1,3-dione CAS Name: 2-[4-[[6-methoxy-5-[(4-methoxyphenyl)thio]-8-quinolinyl]amino]pentyl]isoindole-1,3-dione IUPAC Name: 2-[4-[[6-methoxy-5-(4-methoxyphenyl)sulfanylquinolin-8-yl]amino]pentyl]isoindole-1,3-dione Traditional Name: 2-[4-[[6-methoxy-5-[(4-methoxyphenyl)thio]-8-quinolyl]amino]pentyl]isoindoline-1,3-quinone Formula: C30H29N3O4S MolecularWeight: 527.63396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=CC(=C(C4=C3N=CC=C4)SC5=CC=C(C=C5)OC)OC

Isomeric SMILES

CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=CC(=C(C4=C3N=CC=C4)SC5=CC=C(C=C5)OC)OC

InChI

InChI=1S/C30H29N3O4S/c1-19(8-7-17-33-29(34)22-9-4-5-10-23(22)30(33)35)32-25-18-26(37-3)28(24-11-6-16-31-27(24)25)38-21-14-12-20(36-2)13-15-21/h4-6,9-16,18-19,32H,7-8,17H2,1-3H3