ethyl 4-[2-[2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(3-bromo-4-ethoxy-benzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-bromo-4-ethoxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C21H22BrN3O6S MolecularWeight: 524.38488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C21H22BrN3O6S/c1-3-29-17-10-7-14(11-16(17)22)19(27)23-21(32)25-24-18(26)12-31-15-8-5-13(6-9-15)20(28)30-4-2/h5-11H,3-4,12H2,1-2H3,(H,24,26)(H2,23,25,27,32)