2-[[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]methyl]isoindole-1,3-dione hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)CN5C(=O)C6=CC=CC=C6C5=O.Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C3=C4C=C(SC4=CC=C3)CN5C(=O)C6=CC=CC=C6C5=O.Cl

InChI

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