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

Systemtic Name: 1-ethyl-3-[4-fluoranyl-5-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-fluoro-5-[2-(4-methylpiperazin-1-yl)-4-pyridyl]-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-fluoro-5-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-7-(2-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-fluoro-5-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-fluoro-5-[2-(4-methylpiperazino)-4-pyridyl]-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C25H26FN7OS MolecularWeight: 491.583643

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CC(=NC=C4)N5CCN(CC5)C)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C(=CC(=C2S1)C3=CC=CC=N3)C4=CC(=NC=C4)N5CCN(CC5)C)F

InChI

InChI=1S/C25H26FN7OS/c1-3-27-24(34)31-25-30-22-21(26)17(15-18(23(22)35-25)19-6-4-5-8-28-19)16-7-9-29-20(14-16)33-12-10-32(2)11-13-33/h4-9,14-15H,3,10-13H2,1-2H3,(H2,27,30,31,34)