4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]piperazin-2-one

Systemtic Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]piperazin-2-one Openeye Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]piperazin-2-one CAS Name: 4-[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]-2-piperazinone IUPAC Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]piperazin-2-one Traditional Name: 4-[3-[(3,4-dimethylphenyl)thio]propanoyl]piperazin-2-one Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCNC(=O)C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCNC(=O)C2)C

InChI

InChI=1S/C15H20N2O2S/c1-11-3-4-13(9-12(11)2)20-8-5-15(19)17-7-6-16-14(18)10-17/h3-4,9H,5-8,10H2,1-2H3,(H,16,18)