4-[2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioyl]hydrazino]-N-(2,5-dimethylphenyl)-4-oxo-butanamide CAS Name: 4-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-N-(2,5-dimethylphenyl)-4-oxobutanamide IUPAC Name: 4-[2-[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide Traditional Name: 4-[N'-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-N-(2,5-dimethylphenyl)-4-keto-butyramide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=CC(=C2)C)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=CC(=C2)C)C)Br

InChI

InChI=1S/C23H27BrN4O4S/c1-4-16-7-8-19(17(24)12-16)32-13-22(31)26-23(33)28-27-21(30)10-9-20(29)25-18-11-14(2)5-6-15(18)3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,25,29)(H,27,30)(H2,26,28,31,33)