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

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C20H28BrN3O3S MolecularWeight: 470.42362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CCCCC2)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2CCCCC2)Br

InChI

InChI=1S/C20H28BrN3O3S/c1-20(2,3)14-9-10-16(15(21)11-14)27-12-17(25)23-24-19(28)22-18(26)13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3,(H,23,25)(H2,22,24,26,28)