4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazin-2-one

Systemtic Name: 4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazin-2-one Openeye Name: 4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazin-2-one CAS Name: 4-[2-[(4-chlorophenyl)thio]-1-oxopropyl]-2-piperazinone IUPAC Name: 4-[2-(4-chlorophenyl)sulfanylpropanoyl]piperazin-2-one Traditional Name: 4-[2-[(4-chlorophenyl)thio]propanoyl]piperazin-2-one Formula: C13H15ClN2O2S MolecularWeight: 298.7884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC(=O)C1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)N1CCNC(=O)C1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H15ClN2O2S/c1-9(19-11-4-2-10(14)3-5-11)13(18)16-7-6-15-12(17)8-16/h2-5,9H,6-8H2,1H3,(H,15,17)