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

Systemtic Name: 4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-2-one Openeye Name: 4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-2-one CAS Name: 4-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-2-piperazinone IUPAC Name: 4-[2-(4-nitrophenyl)sulfanylpropanoyl]piperazin-2-one Traditional Name: 4-[2-[(4-nitrophenyl)thio]propanoyl]piperazin-2-one Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCNC(=O)C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-9(13(18)15-7-6-14-12(17)8-15)21-11-4-2-10(3-5-11)16(19)20/h2-5,9H,6-8H2,1H3,(H,14,17)