2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide Openeye Name: N-(2-benzylsulfanylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)-N-[2-(phenylmethylthio)phenyl]acetamide IUPAC Name: N-(2-benzylsulfanylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(benzylthio)phenyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c23-18-12-22(11-10-20-18)13-19(24)21-16-8-4-5-9-17(16)25-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)(H,21,24)/p+1