4-[3-(phenylmethylsulfanyl)propanoyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[3-(phenylmethylsulfanyl)propanoyl]piperazine-1-carbaldehyde Openeye Name: 4-(3-benzylsulfanylpropanoyl)piperazine-1-carbaldehyde CAS Name: 4-[1-oxo-3-(phenylmethylthio)propyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-(3-benzylsulfanylpropanoyl)piperazine-1-carbaldehyde Traditional Name: 4-[3-(benzylthio)propanoyl]piperazine-1-carbaldehyde Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C=O)C(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O2S/c18-13-16-7-9-17(10-8-16)15(19)6-11-20-12-14-4-2-1-3-5-14/h1-5,13H,6-12H2