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

Systemtic Name: 2-bromanyl-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H21Br2N3O3S MolecularWeight: 543.27204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br)Br

InChI

InChI=1S/C20H21Br2N3O3S/c1-20(2,3)12-8-9-16(15(22)10-12)28-11-17(26)24-25-19(29)23-18(27)13-6-4-5-7-14(13)21/h4-10H,11H2,1-3H3,(H,24,26)(H2,23,25,27,29)