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

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one Openeye Name: (2S)-2-amino-1-(4-benzyl-1-piperidyl)-4-methylsulfanyl-butan-1-one CAS Name: (2S)-2-amino-4-(methylthio)-1-[4-(phenylmethyl)-1-piperidinyl]-1-butanone IUPAC Name: (2S)-2-amino-1-(4-benzylpiperidin-1-yl)-4-methylsulfanylbutan-1-one Traditional Name: (2S)-2-amino-1-(4-benzylpiperidino)-4-(methylthio)butan-1-one Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)N

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)N

InChI

InChI=1S/C17H26N2OS/c1-21-12-9-16(18)17(20)19-10-7-15(8-11-19)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13,18H2,1H3/t16-/m0/s1