4-[2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-[2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]carbamothioyl]hydrazino]-N-(3-chloro-2-methyl-phenyl)-4-oxo-butanamide CAS Name: 4-[[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide IUPAC Name: 4-[2-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide Traditional Name: 4-[N'-[[2-(2-bromo-4-methyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-N-(3-chloro-2-methyl-phenyl)-4-keto-butyramide Formula: C21H22BrClN4O4S MolecularWeight: 541.84578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C)Br

InChI

InChI=1S/C21H22BrClN4O4S/c1-12-6-7-17(14(22)10-12)31-11-20(30)25-21(32)27-26-19(29)9-8-18(28)24-16-5-3-4-15(23)13(16)2/h3-7,10H,8-9,11H2,1-2H3,(H,24,28)(H,26,29)(H2,25,27,30,32)