N-(2-methylsulfanylphenyl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-benzyloxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[4-(4-phenylmethoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(4-benzoxyphenyl)piperazino]-N-[2-(methylthio)phenyl]acetamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S/c1-32-25-10-6-5-9-24(25)27-26(30)19-28-15-17-29(18-16-28)22-11-13-23(14-12-22)31-20-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3,(H,27,30)