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

Systemtic Name: 1-[1-[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]piperazin-2-yl]icosan-1-one Openeye Name: 1-[1-(2-amino-3-benzylsulfanyl-propanoyl)piperazin-2-yl]icosan-1-one CAS Name: 1-[1-[2-amino-1-oxo-3-(phenylmethylthio)propyl]-2-piperazinyl]-1-eicosanone IUPAC Name: 1-[1-(2-amino-3-benzylsulfanylpropanoyl)piperazin-2-yl]icosan-1-one Traditional Name: 1-[1-[2-amino-3-(benzylthio)propanoyl]piperazin-2-yl]eicosan-1-one Formula: C34H59N3O2S MolecularWeight: 573.91616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H59N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(38)32-27-36-25-26-37(32)34(39)31(35)29-40-28-30-22-19-18-20-23-30/h18-20,22-23,31-32,36H,2-17,21,24-29,35H2,1H3