2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[3-[(methylthio)methyl]benzoyl]piperazino]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-28-17-19-8-5-9-20(14-19)22(27)25-12-10-24(11-13-25)16-21(26)23-15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-17H2,1H3,(H,23,26)