N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromanyl-4-fluoranyl-phenoxy)ethanamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromanyl-4-fluoranyl-phenoxy)ethanamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-2-(2-bromo-4-fluoro-phenoxy)acetamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-2-(2-bromo-4-fluorophenoxy)acetamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-fluorophenoxy)acetamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-2-(2-bromo-4-fluoro-phenoxy)acetamide Formula: C14H13BrFN3O3S2 MolecularWeight: 434.303723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC2=C(C=C(C=C2)F)Br)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC2=C(C=C(C=C2)F)Br)SCC(=O)N

InChI

InChI=1S/C14H13BrFN3O3S2/c1-7-13(23-6-11(17)20)24-14(18-7)19-12(21)5-22-10-3-2-8(16)4-9(10)15/h2-4H,5-6H2,1H3,(H2,17,20)(H,18,19,21)