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

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]pentanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]pentanamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]pentanamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]valeramide Formula: C18H26BrN3O3S MolecularWeight: 444.38634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C(C)(C)C)Br

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C(C)(C)C)Br

InChI

InChI=1S/C18H26BrN3O3S/c1-5-6-7-15(23)20-17(26)22-21-16(24)11-25-14-9-8-12(10-13(14)19)18(2,3)4/h8-10H,5-7,11H2,1-4H3,(H,21,24)(H2,20,22,23,26)