2-(phenylmethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(phenylmethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(2-thienylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(2-thenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c29-23(27-12-10-26(11-13-27)17-20-7-4-14-32-20)19-8-9-21-22(15-19)25(31)28(24(21)30)16-18-5-2-1-3-6-18/h1-9,14-15H,10-13,16-17H2