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

Systemtic Name: 1-ethyl-3-[4-fluoranyl-5-[3-(4-methylpiperazin-1-yl)carbonylphenyl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[4-fluoro-5-[3-(4-methylpiperazine-1-carbonyl)phenyl]-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[4-fluoro-5-[3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-7-(2-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[4-fluoro-5-[3-(4-methylpiperazine-1-carbonyl)phenyl]-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[4-fluoro-5-[3-(4-methylpiperazine-1-carbonyl)phenyl]-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C27H27FN6O2S MolecularWeight: 518.605683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN6O2S/c1-3-29-26(36)32-27-31-23-22(28)19(16-20(24(23)37-27)21-9-4-5-10-30-21)17-7-6-8-18(15-17)25(35)34-13-11-33(2)12-14-34/h4-10,15-16H,3,11-14H2,1-2H3,(H2,29,31,32,36)