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

Systemtic Name: 4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[2-[[2-(4-bromo-2-methyl-phenoxy)acetyl]carbamothioyl]hydrazino]-N-(2-chlorophenyl)-4-oxo-butanamide CAS Name: 4-[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-N-(2-chlorophenyl)-4-oxobutanamide IUPAC Name: 4-[2-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide Traditional Name: 4-[N'-[[2-(4-bromo-2-methyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-N-(2-chlorophenyl)-4-keto-butyramide Formula: C20H20BrClN4O4S MolecularWeight: 527.8192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C20H20BrClN4O4S/c1-12-10-13(21)6-7-16(12)30-11-19(29)24-20(31)26-25-18(28)9-8-17(27)23-15-5-3-2-4-14(15)22/h2-7,10H,8-9,11H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29,31)