N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-methyl-butyramide Formula: C18H26BrN3O3S MolecularWeight: 444.38634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26BrN3O3S/c1-11(2)8-15(23)20-17(26)22-21-16(24)10-25-14-7-6-12(9-13(14)19)18(3,4)5/h6-7,9,11H,8,10H2,1-5H3,(H,21,24)(H2,20,22,23,26)