2-butyl-5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C22H24ClN3O3S/c1-2-3-8-26-21(28)17-6-4-15(13-18(17)22(26)29)20(27)25-11-9-24(10-12-25)14-16-5-7-19(23)30-16/h4-7,13H,2-3,8-12,14H2,1H3