4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(5-bromanylthiophen-2-yl)butan-1-one

Systemtic Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(5-bromanylthiophen-2-yl)butan-1-one Openeye Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(5-bromo-2-thienyl)butan-1-one CAS Name: 4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-1-(5-bromo-2-thiophenyl)-1-butanone IUPAC Name: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(5-bromothiophen-2-yl)butan-1-one Traditional Name: 4-[4-(1,2-benzothiazol-3-yl)piperazino]-1-(5-bromo-2-thienyl)butan-1-one Formula: C19H20BrN3OS2 MolecularWeight: 450.4156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(S2)Br)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCC(=O)C2=CC=C(S2)Br)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H20BrN3OS2/c20-18-8-7-17(25-18)15(24)5-3-9-22-10-12-23(13-11-22)19-14-4-1-2-6-16(14)26-21-19/h1-2,4,6-8H,3,5,9-13H2