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

Systemtic Name: ethyl 4-[2-[2-[(3-bromanyl-4-propoxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(3-bromo-4-propoxy-benzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-bromo-4-propoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-bromo-4-propoxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3-bromo-4-propoxy-benzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C22H24BrN3O6S MolecularWeight: 538.41146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C22H24BrN3O6S/c1-3-11-31-18-10-7-15(12-17(18)23)20(28)24-22(33)26-25-19(27)13-32-16-8-5-14(6-9-16)21(29)30-4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,25,27)(H2,24,26,28,33)