(2S)-2-azanyl-4-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

Systemtic Name: (2S)-2-azanyl-4-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one Openeye Name: (2S)-2-amino-1-[4-[(E)-cinnamyl]piperazin-1-yl]-4-methylsulfanyl-butan-1-one CAS Name: (2S)-2-amino-4-(methylthio)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-butanone IUPAC Name: (2S)-2-amino-4-methylsulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one Traditional Name: (2S)-2-amino-1-[4-[(E)-cinnamyl]piperazino]-4-(methylthio)butan-1-one Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3OS/c1-23-15-9-17(19)18(22)21-13-11-20(12-14-21)10-5-8-16-6-3-2-4-7-16/h2-8,17H,9-15,19H2,1H3/b8-5+/t17-/m0/s1