1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-3-[(4-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(4-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(benzofuran-2-carbonyl)piperazino]-3-[(4-fluorophenyl)thio]propan-1-one Formula: C22H21FN2O3S MolecularWeight: 412.477143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCSC2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)CCSC2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H21FN2O3S/c23-17-5-7-18(8-6-17)29-14-9-21(26)24-10-12-25(13-11-24)22(27)20-15-16-3-1-2-4-19(16)28-20/h1-8,15H,9-14H2