4-[2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: 4-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-benzyl-4-[N'-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-butyramide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2)Br

InChI

InChI=1S/C22H25BrN4O4S/c1-2-15-8-9-18(17(23)12-15)31-14-21(30)25-22(32)27-26-20(29)11-10-19(28)24-13-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13-14H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30,32)