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

Systemtic Name: 1-ethyl-3-[4-fluoranyl-7-(3-fluoranylpyridin-2-yl)-5-(6-piperazin-1-ylpyridin-3-yl)-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-fluoro-7-(3-fluoro-2-pyridyl)-5-(6-piperazin-1-yl-3-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-fluoro-7-(3-fluoro-2-pyridinyl)-5-[6-(1-piperazinyl)-3-pyridinyl]-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-fluoro-7-(3-fluoropyridin-2-yl)-5-(6-piperazin-1-ylpyridin-3-yl)-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-fluoro-7-(3-fluoro-2-pyridyl)-5-(6-piperazino-3-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C24H23F2N7OS MolecularWeight: 495.547526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23F2N7OS/c1-2-28-23(34)32-24-31-21-19(26)15(12-16(22(21)35-24)20-17(25)4-3-7-29-20)14-5-6-18(30-13-14)33-10-8-27-9-11-33/h3-7,12-13,27H,2,8-11H2,1H3,(H2,28,31,32,34)