3-(3,5-dimethylphenyl)sulfanyl-1-piperazin-1-yl-propan-1-one

Systemtic Name: 3-(3,5-dimethylphenyl)sulfanyl-1-piperazin-1-yl-propan-1-one Openeye Name: 3-(3,5-dimethylphenyl)sulfanyl-1-piperazin-1-yl-propan-1-one CAS Name: 3-[(3,5-dimethylphenyl)thio]-1-(1-piperazinyl)-1-propanone IUPAC Name: 3-(3,5-dimethylphenyl)sulfanyl-1-piperazin-1-ylpropan-1-one Traditional Name: 3-[(3,5-dimethylphenyl)thio]-1-piperazino-propan-1-one Formula: C15H22N2OS MolecularWeight: 278.41298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2OS/c1-12-9-13(2)11-14(10-12)19-8-3-15(18)17-6-4-16-5-7-17/h9-11,16H,3-8H2,1-2H3