(2S)-2-(3-methylphenyl)sulfanyl-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-(3-methylphenyl)sulfanyl-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-(m-tolylsulfanyl)-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-[(3-methylphenyl)thio]-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(3-methylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-(m-tolylthio)-1-piperazino-propan-1-one Formula: C14H20N2OS MolecularWeight: 264.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2OS/c1-11-4-3-5-13(10-11)18-12(2)14(17)16-8-6-15-7-9-16/h3-5,10,12,15H,6-9H2,1-2H3/t12-/m0/s1