5-bromanyl-2-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[3-oxo-3-[4-(3-thienylmethyl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[3-keto-3-[4-(3-thenyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S/c21-15-1-2-16-17(11-15)20(27)24(19(16)26)5-3-18(25)23-8-6-22(7-9-23)12-14-4-10-28-13-14/h1-2,4,10-11,13H,3,5-9,12H2