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

Systemtic Name: 4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[2-[[2-(4-bromo-2-methyl-phenoxy)acetyl]carbamothioyl]hydrazino]-N-(3,4-dimethylphenyl)-4-oxo-butanamide CAS Name: 4-[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-N-(3,4-dimethylphenyl)-4-oxobutanamide IUPAC Name: 4-[2-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide Traditional Name: 4-[N'-[[2-(4-bromo-2-methyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-N-(3,4-dimethylphenyl)-4-keto-butyramide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C22H25BrN4O4S/c1-13-4-6-17(11-14(13)2)24-19(28)8-9-20(29)26-27-22(32)25-21(30)12-31-18-7-5-16(23)10-15(18)3/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32)