[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(benzofuran-2-carbonyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(benzofuran-2-carbonyl)piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H21N3O3S/c29-24(20-10-6-12-26-23(20)32-19-8-2-1-3-9-19)27-13-15-28(16-14-27)25(30)22-17-18-7-4-5-11-21(18)31-22/h1-12,17H,13-16H2