1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanone Openeye Name: 1-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanone CAS Name: 1-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-2-(1,3-benzothiazol-2-ylmethylthio)ethanone IUPAC Name: 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanone Traditional Name: 1-[4-(benzofuran-2-carbonyl)piperazino]-2-(1,3-benzothiazol-2-ylmethylthio)ethanone Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H21N3O3S2/c27-22(15-30-14-21-24-17-6-2-4-8-20(17)31-21)25-9-11-26(12-10-25)23(28)19-13-16-5-1-3-7-18(16)29-19/h1-8,13H,9-12,14-15H2