(2S)-2-azanyl-4-methylsulfanyl-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-2-amino-4-methylsulfanyl-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-2-amino-4-(methylthio)-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-amino-4-methylsulfanyl-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-2-amino-4-(methylthio)-1-piperazino-butan-1-one Formula: C9H19N3OS MolecularWeight: 217.33166

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCNCC1)N

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCNCC1)N

InChI

InChI=1S/C9H19N3OS/c1-14-7-2-8(10)9(13)12-5-3-11-4-6-12/h8,11H,2-7,10H2,1H3/t8-/m0/s1