5-bromanyl-2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C19H17BrClN3O3S MolecularWeight: 482.77858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C19H17BrClN3O3S/c20-12-1-3-14-15(9-12)19(27)24(18(14)26)11-17(25)23-7-5-22(6-8-23)10-13-2-4-16(21)28-13/h1-4,9H,5-8,10-11H2