1-ethyl-3-[4-fluoranyl-5-(6-piperazin-1-ylpyridin-3-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[4-fluoranyl-5-(6-piperazin-1-ylpyridin-3-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-fluoro-5-(6-piperazin-1-yl-3-pyridyl)-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-fluoro-5-[6-(1-piperazinyl)-3-pyridinyl]-7-(2-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-fluoro-5-(6-piperazin-1-ylpyridin-3-yl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-fluoro-5-(6-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=CN=C(C=C4)N5CCNCC5)F

Isomeric SMILES

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

InChI

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