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

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-(4-methoxyphenyl)acetamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)OC)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)OC)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-22(2,3)15-7-10-18(17(23)12-15)30-13-20(28)25-26-21(31)24-19(27)11-14-5-8-16(29-4)9-6-14/h5-10,12H,11,13H2,1-4H3,(H,25,28)(H2,24,26,27,31)