1-[3-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C18H19N3O4S2/c1-13(22)14-4-2-5-15(12-14)27(24,25)21-10-8-20(9-11-21)18(23)16-6-3-7-19-17(16)26/h2-7,12H,8-11H2,1H3,(H,19,26)