1-[1-[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]piperazin-2-yl]hexadecan-1-one

Systemtic Name: 1-[1-[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]piperazin-2-yl]hexadecan-1-one Openeye Name: 1-[1-(2-amino-3-benzylsulfanyl-propanoyl)piperazin-2-yl]hexadecan-1-one CAS Name: 1-[1-[2-amino-1-oxo-3-(phenylmethylthio)propyl]-2-piperazinyl]-1-hexadecanone IUPAC Name: 1-[1-(2-amino-3-benzylsulfanylpropanoyl)piperazin-2-yl]hexadecan-1-one Traditional Name: 1-[1-[2-amino-3-(benzylthio)propanoyl]piperazin-2-yl]hexadecan-1-one Formula: C30H51N3O2S MolecularWeight: 517.80984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1CNCCN1C(=O)C(CSCC2=CC=CC=C2)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1CNCCN1C(=O)C(CSCC2=CC=CC=C2)N

InChI

InChI=1S/C30H51N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(34)28-23-32-21-22-33(28)30(35)27(31)25-36-24-26-18-15-14-16-19-26/h14-16,18-19,27-28,32H,2-13,17,20-25,31H2,1H3