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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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