N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-bis(chloranyl)benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3,5-bis(chloranyl)benzamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3,5-dichloro-benzamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dichlorobenzamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3,5-dichlorobenzamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3,5-dichloro-benzamide Formula: C20H20BrCl2N3O3S MolecularWeight: 533.2661

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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(=C2)Cl)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrCl2N3O3S/c1-20(2,3)12-4-5-16(15(21)8-12)29-10-17(27)25-26-19(30)24-18(28)11-6-13(22)9-14(23)7-11/h4-9H,10H2,1-3H3,(H,25,27)(H2,24,26,28,30)