N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-phenyl-acetamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=CC=C2)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-21(2,3)15-9-10-17(16(22)12-15)28-13-19(27)24-25-20(29)23-18(26)11-14-7-5-4-6-8-14/h4-10,12H,11,13H2,1-3H3,(H,24,27)(H2,23,25,26,29)