2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]ethanamide

Systemtic Name: 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]ethanamide Openeye Name: 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]acetamide CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]acetamide Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]acetamide Formula: C12H15BrN2O2S MolecularWeight: 331.2287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC(=O)N

InChI

InChI=1S/C12H15BrN2O2S/c1-7-4-10(8(2)3-9(7)13)18-6-12(17)15-5-11(14)16/h3-4H,5-6H2,1-2H3,(H2,14,16)(H,15,17)