1-ethyl-3-[6-fluoranyl-5-[2-methyl-1-[(1-methylimidazol-4-yl)methyl]-6-oxidanylidene-pyridin-4-yl]-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-fluoranyl-5-[2-methyl-1-[(1-methylimidazol-4-yl)methyl]-6-oxidanylidene-pyridin-4-yl]-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[6-fluoro-5-[2-methyl-1-[(1-methylimidazol-4-yl)methyl]-6-oxo-4-pyridyl]-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[6-fluoro-5-[2-methyl-1-[(1-methyl-4-imidazolyl)methyl]-6-oxo-4-pyridinyl]-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[6-fluoro-5-[2-methyl-1-[(1-methylimidazol-4-yl)methyl]-6-oxopyridin-4-yl]-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[6-fluoro-5-[2-keto-6-methyl-1-[(1-methylimidazol-4-yl)methyl]-4-pyridyl]-1,3-benzothiazol-2-yl]urea Formula: C21H21FN6O2S MolecularWeight: 440.493843

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C=C(C(=C2)C3=CC(=O)N(C(=C3)C)CC4=CN(C=N4)C)F

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C=C(C(=C2)C3=CC(=O)N(C(=C3)C)CC4=CN(C=N4)C)F

InChI

InChI=1S/C21H21FN6O2S/c1-4-23-20(30)26-21-25-17-7-15(16(22)8-18(17)31-21)13-5-12(2)28(19(29)6-13)10-14-9-27(3)11-24-14/h5-9,11H,4,10H2,1-3H3,(H2,23,25,26,30)