(2S)-2-(2,5-dimethylphenyl)sulfanyl-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-(2,5-dimethylphenyl)sulfanyl-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-(2,5-dimethylphenyl)sulfanyl-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-[(2,5-dimethylphenyl)thio]-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(2,5-dimethylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-[(2,5-dimethylphenyl)thio]-1-piperazino-propan-1-one Formula: C15H22N2OS MolecularWeight: 278.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC(C)C(=O)N2CCNCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S[C@@H](C)C(=O)N2CCNCC2

InChI

InChI=1S/C15H22N2OS/c1-11-4-5-12(2)14(10-11)19-13(3)15(18)17-8-6-16-7-9-17/h4-5,10,13,16H,6-9H2,1-3H3/t13-/m0/s1