3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[4-bromanyl-3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[4-bromanyl-3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[4-bromo-3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[4-bromo-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[4-bromo-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[4-bromo-3-(trifluoromethyl)phenyl]propionamide Formula: C12H12BrF3N2O2S MolecularWeight: 385.20009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCSCC(=O)N)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCSCC(=O)N)C(F)(F)F)Br

InChI

InChI=1S/C12H12BrF3N2O2S/c13-9-2-1-7(5-8(9)12(14,15)16)18-11(20)3-4-21-6-10(17)19/h1-2,5H,3-4,6H2,(H2,17,19)(H,18,20)