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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCC(=O)N2CCNCC2

Isomeric SMILES

CC1=CC=CC=C1SCCC(=O)N2CCNCC2

InChI

InChI=1S/C14H20N2OS/c1-12-4-2-3-5-13(12)18-11-6-14(17)16-9-7-15-8-10-16/h2-5,15H,6-11H2,1H3