N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-22(2,3)16-10-11-18(17(23)13-16)29-14-20(28)25-26-21(30)24-19(27)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,9,12,14H2,1-3H3,(H,25,28)(H2,24,26,27,30)