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

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-2-14-8-10-17(16(21)12-14)27-13-19(26)23-24-20(28)22-18(25)11-9-15-6-4-3-5-7-15/h3-8,10,12H,2,9,11,13H2,1H3,(H,23,26)(H2,22,24,25,28)