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

Systemtic Name: (2S)-2-azanyl-1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one Openeye Name: (2S)-2-amino-4-methylsulfanyl-1-[4-(m-tolyl)piperazin-1-yl]butan-1-one CAS Name: (2S)-2-amino-1-[4-(3-methylphenyl)-1-piperazinyl]-4-(methylthio)-1-butanone IUPAC Name: (2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one Traditional Name: (2S)-2-amino-4-(methylthio)-1-[4-(m-tolyl)piperazino]butan-1-one Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCSC)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](CCSC)N

InChI

InChI=1S/C16H25N3OS/c1-13-4-3-5-14(12-13)18-7-9-19(10-8-18)16(20)15(17)6-11-21-2/h3-5,12,15H,6-11,17H2,1-2H3/t15-/m0/s1