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

Systemtic Name: 4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[2-[[2-(4-bromo-2-methyl-phenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-N-phenyl-butanamide CAS Name: 4-[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-phenylbutanamide IUPAC Name: 4-[2-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxo-N-phenylbutanamide Traditional Name: 4-[N'-[[2-(4-bromo-2-methyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-N-phenyl-butyramide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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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=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O4S/c1-13-11-14(21)7-8-16(13)29-12-19(28)23-20(30)25-24-18(27)10-9-17(26)22-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)