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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-[(2-fluorophenyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-[(2-fluorophenyl)thio]acetyl]piperazino]acetamide Formula: C22H26FN3O2S MolecularWeight: 415.524143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CSC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CSC3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O2S/c1-2-17-7-3-5-9-19(17)24-21(27)15-25-11-13-26(14-12-25)22(28)16-29-20-10-6-4-8-18(20)23/h3-10H,2,11-16H2,1H3,(H,24,27)