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

Systemtic Name: 4-[2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-N-phenyl-butanamide CAS Name: 4-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-phenylbutanamide IUPAC Name: 4-[2-[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxo-N-phenylbutanamide Traditional Name: 4-[N'-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-N-phenyl-butyramide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2)Br

InChI

InChI=1S/C21H23BrN4O4S/c1-2-14-8-9-17(16(22)12-14)30-13-20(29)24-21(31)26-25-19(28)11-10-18(27)23-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29,31)