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

Systemtic Name: 2-[[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-phenethylpiperazin-1-yl)benzothiophen-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-phenethyl-1-piperazinyl)-1-benzothiophen-2-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-phenethylpiperazin-1-yl)-1-benzothiophen-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-phenethylpiperazino)benzothiophen-2-yl]methyl]isoindoline-1,3-quinone Formula: C29H27N3O2S MolecularWeight: 481.60858

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O2S/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