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

Systemtic Name: ethyl 4-[2-[2-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(3-bromo-4-hexoxy-benzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3-bromo-4-hexoxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3-bromo-4-hexoxy-benzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C25H30BrN3O6S MolecularWeight: 580.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCC)Br

InChI

InChI=1S/C25H30BrN3O6S/c1-3-5-6-7-14-34-21-13-10-18(15-20(21)26)23(31)27-25(36)29-28-22(30)16-35-19-11-8-17(9-12-19)24(32)33-4-2/h8-13,15H,3-7,14,16H2,1-2H3,(H,28,30)(H2,27,29,31,36)