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

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]hexanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]hexanamide Formula: C19H28BrN3O3S MolecularWeight: 458.41292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28BrN3O3S/c1-5-6-7-8-16(24)21-18(27)23-22-17(25)12-26-15-10-9-13(11-14(15)20)19(2,3)4/h9-11H,5-8,12H2,1-4H3,(H,22,25)(H2,21,23,24,27)