1-[3-fluoranyl-4-[4-[2-(3-nitrothiomorpholin-4-yl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[2-(3-nitrothiomorpholin-4-yl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[2-(3-nitrothiomorpholin-4-yl)benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[2-(3-nitro-4-thiomorpholinyl)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[2-(3-nitrothiomorpholin-4-yl)benzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[2-(3-nitrothiomorpholin-4-yl)benzoyl]piperazino]phenyl]ethanone Formula: C23H25FN4O4S MolecularWeight: 472.532403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3N4CCSCC4[N+](=O)[O-])F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3N4CCSCC4[N+](=O)[O-])F

InChI

InChI=1S/C23H25FN4O4S/c1-16(29)17-6-7-21(19(24)14-17)25-8-10-26(11-9-25)23(30)18-4-2-3-5-20(18)27-12-13-33-15-22(27)28(31)32/h2-7,14,22H,8-13,15H2,1H3