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

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 2-(benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazin-1-yl)isoindoline-1,3-dione CAS Name: 2-(1-benzothiophen-2-ylmethyl)-4-(4-phenethyl-1-piperazinyl)isoindole-1,3-dione IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazin-1-yl)isoindole-1,3-dione Traditional Name: 2-(benzothiophen-2-ylmethyl)-4-(4-phenethylpiperazino)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=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O2S/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