N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenyl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-[(4-methoxyphenyl)thio]acetyl]piperazino]acetamide Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H24FN3O3S/c1-28-18-5-7-19(8-6-18)29-15-21(27)25-11-9-24(10-12-25)14-20(26)23-17-4-2-3-16(22)13-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)