2-[[4-methoxy-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-methoxy-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-methoxy-3-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-methoxy-3-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-methoxy-3-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-methoxy-3-[4-(2-thenoyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H23N3O5S/c1-34-21-9-8-17(16-29-24(31)18-5-2-3-6-19(18)25(29)32)15-20(21)23(30)27-10-12-28(13-11-27)26(33)22-7-4-14-35-22/h2-9,14-15H,10-13,16H2,1H3