2-(1-benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazin-1-yl)isoindole-1,3-dione hydrochloride

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazin-1-yl)isoindole-1,3-dione hydrochloride Openeye Name: 2-(benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazin-1-yl)isoindoline-1,3-dione hydrochloride CAS Name: 2-(1-benzothiophen-2-ylmethyl)-4-(4-phenethyl-1-piperazinyl)isoindole-1,3-dione hydrochloride IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazin-1-yl)isoindole-1,3-dione hydrochloride Traditional Name: 2-(benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazino)isoindoline-1,3-quinone hydrochloride Formula: C29H28ClN3O2S MolecularWeight: 518.06952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5.Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5.Cl

InChI

InChI=1S/C29H27N3O2S.ClH/c33-28-24-10-6-11-25(31-17-15-30(16-18-31)14-13-21-7-2-1-3-8-21)27(24)29(34)32(28)20-23-19-22-9-4-5-12-26(22)35-23;/h1-12,19H,13-18,20H2;1H