N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-27(2,3)20-14-15-22(21(28)16-20)34-17-23(32)30-31-26(35)29-25(33)24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,24H,17H2,1-3H3,(H,30,32)(H2,29,31,33,35)