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

Systemtic Name: 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(4-bromanyl-2-fluoranyl-phenyl)propanamide Openeye Name: 2-[5-(2-amino-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanyl-N-(4-bromo-2-fluoro-phenyl)propanamide CAS Name: 2-[[5-(2-amino-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-N-(4-bromo-2-fluorophenyl)propanamide IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(4-bromo-2-fluorophenyl)propanamide Traditional Name: 2-[[5-(2-amino-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]-N-(4-bromo-2-fluoro-phenyl)propionamide Formula: C15H15BrFN3O2S2 MolecularWeight: 432.330903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC(C)C(=O)NC2=C(C=C(C=C2)Br)F)CC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)SC(C)C(=O)NC2=C(C=C(C=C2)Br)F)CC(=O)N

InChI

InChI=1S/C15H15BrFN3O2S2/c1-7-12(6-13(18)21)24-15(19-7)23-8(2)14(22)20-11-4-3-9(16)5-10(11)17/h3-5,8H,6H2,1-2H3,(H2,18,21)(H,20,22)