3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[(5-bromo-2-fluoro-phenyl)methyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[(5-bromo-2-fluorophenyl)methyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[(5-bromo-2-fluorophenyl)methyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-(5-bromo-2-fluoro-benzyl)propionamide Formula: C12H14BrFN2O2S MolecularWeight: 349.219163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)CNC(=O)CCSCC(=O)N)F

Isomeric SMILES

C1=CC(=C(C=C1Br)CNC(=O)CCSCC(=O)N)F

InChI

InChI=1S/C12H14BrFN2O2S/c13-9-1-2-10(14)8(5-9)6-16-12(18)3-4-19-7-11(15)17/h1-2,5H,3-4,6-7H2,(H2,15,17)(H,16,18)