4,5-dimethoxy-7-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]isoindole-1,3-dione

Systemtic Name: 4,5-dimethoxy-7-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]isoindole-1,3-dione Openeye Name: 4,5-dimethoxy-7-[3-[methyl-[4-(2-thienyl)butyl]amino]propyl]isoindoline-1,3-dione CAS Name: 4,5-dimethoxy-7-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]isoindole-1,3-dione IUPAC Name: 4,5-dimethoxy-7-[3-[methyl(4-thiophen-2-ylbutyl)amino]propyl]isoindole-1,3-dione Traditional Name: 4,5-dimethoxy-7-[3-[methyl-[4-(2-thienyl)butyl]amino]propyl]isoindoline-1,3-quinone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CC=CS1)CCCC2=CC(=C(C3=C2C(=O)NC3=O)OC)OC

Isomeric SMILES

CN(CCCCC1=CC=CS1)CCCC2=CC(=C(C3=C2C(=O)NC3=O)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-24(11-5-4-9-16-10-7-13-29-16)12-6-8-15-14-17(27-2)20(28-3)19-18(15)21(25)23-22(19)26/h7,10,13-14H,4-6,8-9,11-12H2,1-3H3,(H,23,25,26)