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

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: (2S)-2-amino-1-(4-benzylpiperazin-1-yl)-4-methylsulfanyl-butan-1-one CAS Name: (2S)-2-amino-4-(methylthio)-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-amino-1-(4-benzylpiperazin-1-yl)-4-methylsulfanylbutan-1-one Traditional Name: (2S)-2-amino-1-(4-benzylpiperazino)-4-(methylthio)butan-1-one Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)N

InChI

InChI=1S/C16H25N3OS/c1-21-12-7-15(17)16(20)19-10-8-18(9-11-19)13-14-5-3-2-4-6-14/h2-6,15H,7-13,17H2,1H3/t15-/m0/s1