1-ethyl-3-[4-fluoranyl-5-(2-piperazin-1-ylpyridin-3-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[4-fluoranyl-5-(2-piperazin-1-ylpyridin-3-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-fluoro-5-(2-piperazin-1-yl-3-pyridyl)-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-fluoro-5-[2-(1-piperazinyl)-3-pyridinyl]-7-(2-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-fluoro-5-(2-piperazin-1-ylpyridin-3-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-fluoro-5-(2-piperazino-3-pyridyl)-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C24H24FN7OS MolecularWeight: 477.557063

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=C(N=CC=C4)N5CCNCC5)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=C(N=CC=C4)N5CCNCC5)F

InChI

InChI=1S/C24H24FN7OS/c1-2-27-23(33)31-24-30-20-19(25)16(14-17(21(20)34-24)18-7-3-4-8-28-18)15-6-5-9-29-22(15)32-12-10-26-11-13-32/h3-9,14,26H,2,10-13H2,1H3,(H2,27,30,31,33)