2-(2-methoxyethyl)-4-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(2-methoxyethyl)-4-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(2-methoxyethyl)-4-[4-[2-(3-thienyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(2-methoxyethyl)-4-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(2-methoxyethyl)-4-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(2-methoxyethyl)-4-[4-[2-(3-thienyl)acetyl]piperazino]isoindoline-1,3-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)C(=O)CC4=CSC=C4

Isomeric SMILES

COCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)C(=O)CC4=CSC=C4

InChI

InChI=1S/C21H23N3O4S/c1-28-11-10-24-20(26)16-3-2-4-17(19(16)21(24)27)22-6-8-23(9-7-22)18(25)13-15-5-12-29-14-15/h2-5,12,14H,6-11,13H2,1H3