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

Systemtic Name: (2S)-2-azanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one Openeye Name: (2S)-2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one CAS Name: (2S)-2-amino-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-(methylthio)-1-butanone IUPAC Name: (2S)-2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one Traditional Name: (2S)-2-amino-1-[4-(2,3-dimethylphenyl)piperazino]-4-(methylthio)butan-1-one Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3OS/c1-13-5-4-6-16(14(13)2)19-8-10-20(11-9-19)17(21)15(18)7-12-22-3/h4-6,15H,7-12,18H2,1-3H3/t15-/m0/s1