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

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2S)-2-amino-4-methylsulfanyl-1-[4-(2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: (2S)-2-amino-4-(methylthio)-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-amino-4-methylsulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2S)-2-amino-4-(methylthio)-1-[4-(2-pyridyl)piperazino]butan-1-one Formula: C14H22N4OS MolecularWeight: 294.41568

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)N

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=N2)N

InChI

InChI=1S/C14H22N4OS/c1-20-11-5-12(15)14(19)18-9-7-17(8-10-18)13-4-2-3-6-16-13/h2-4,6,12H,5,7-11,15H2,1H3/t12-/m0/s1