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

Systemtic Name: N-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C20H21BrClN3O3S/c1-20(2,3)13-6-4-12(5-7-13)18(27)23-19(29)25-24-17(26)11-28-16-9-8-14(21)10-15(16)22/h4-10H,11H2,1-3H3,(H,24,26)(H2,23,25,27,29)