2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]acetamide 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)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=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)24-25-19(29)23-17(26)11-28-16-9-8-14(21)10-15(16)22/h4-10H,11H2,1-3H3,(H,24,27)(H2,23,25,26,29)