4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[2-[[2-(4-bromo-2-methyl-phenoxy)acetyl]carbamothioyl]hydrazino]-N-(4-ethoxyphenyl)-4-oxo-butanamide CAS Name: 4-[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-N-(4-ethoxyphenyl)-4-oxobutanamide IUPAC Name: 4-[2-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide Traditional Name: 4-[N'-[[2-(4-bromo-2-methyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-N-p-phenetyl-butyramide Formula: C22H25BrN4O5S MolecularWeight: 537.4267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C22H25BrN4O5S/c1-3-31-17-7-5-16(6-8-17)24-19(28)10-11-20(29)26-27-22(33)25-21(30)13-32-18-9-4-15(23)12-14(18)2/h4-9,12H,3,10-11,13H2,1-2H3,(H,24,28)(H,26,29)(H2,25,27,30,33)