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

Systemtic Name: 4-[2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[2-[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioyl]hydrazino]-N-(4-ethoxyphenyl)-4-oxo-butanamide CAS Name: 4-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-N-(4-ethoxyphenyl)-4-oxobutanamide IUPAC Name: 4-[2-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide Traditional Name: 4-[N'-[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-N-p-phenetyl-butyramide Formula: C21H22BrClN4O5S MolecularWeight: 557.84518

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrClN4O5S/c1-2-31-15-6-4-14(5-7-15)24-18(28)9-10-19(29)26-27-21(33)25-20(30)12-32-17-8-3-13(22)11-16(17)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30,33)