4-[2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-phenyl-butanamide

Systemtic Name: 4-[2-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-N-phenyl-butanamide CAS Name: 4-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-phenylbutanamide IUPAC Name: 4-[2-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxo-N-phenylbutanamide Traditional Name: 4-[N'-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-N-phenyl-butyramide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-14-8-9-15(2)17(12-14)29-13-20(28)23-21(30)25-24-19(27)11-10-18(26)22-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,30)