2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(2-thienylmethyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[4-(2-thenyl)piperazino]isoindoline-1,3-quinone Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C3=CC=CC4=C3C(=O)N(C4=O)CC5COC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C3=CC=CC4=C3C(=O)N(C4=O)CC5COC6=CC=CC=C6O5

InChI

InChI=1S/C26H25N3O4S/c30-25-20-6-3-7-21(28-12-10-27(11-13-28)16-19-5-4-14-34-19)24(20)26(31)29(25)15-18-17-32-22-8-1-2-9-23(22)33-18/h1-9,14,18H,10-13,15-17H2