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

Systemtic Name: 2-(2,5-dimethylphenyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-5-[4-(2-thienylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-5-[4-(2-thenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C26H25N3O3S/c1-17-5-6-18(2)23(14-17)29-25(31)21-8-7-19(15-22(21)26(29)32)24(30)28-11-9-27(10-12-28)16-20-4-3-13-33-20/h3-8,13-15H,9-12,16H2,1-2H3