4-[2-(phenylmethylsulfanyl)ethanoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[2-(phenylmethylsulfanyl)ethanoyl]piperazine-1-carbaldehyde Openeye Name: 4-(2-benzylsulfanylacetyl)piperazine-1-carbaldehyde CAS Name: 4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-(2-benzylsulfanylacetyl)piperazine-1-carbaldehyde Traditional Name: 4-[2-(benzylthio)acetyl]piperazine-1-carbaldehyde Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)CSCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C=O)C(=O)CSCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2S/c17-12-15-6-8-16(9-7-15)14(18)11-19-10-13-4-2-1-3-5-13/h1-5,12H,6-11H2