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

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylethanoyl]piperazin-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-1-piperazinyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylacetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]acetyl]piperazino]-N-(2-ethylphenyl)acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-2-17-5-3-4-6-20(17)24-21(27)15-25-11-13-26(14-12-25)22(28)16-29-19-9-7-18(23)8-10-19/h3-10H,2,11-16H2,1H3,(H,24,27)