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

Systemtic Name: propyl 4-[2-[2-[(3-bromanyl-4-phenethyloxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 4-[2-[2-[(3-bromo-4-phenethyloxy-benzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-bromo-4-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[2-[(3-bromo-4-phenethyloxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3-bromo-4-phenethyloxy-benzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C28H28BrN3O6S MolecularWeight: 614.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H28BrN3O6S/c1-2-15-37-27(35)20-8-11-22(12-9-20)38-18-25(33)31-32-28(39)30-26(34)21-10-13-24(23(29)17-21)36-16-14-19-6-4-3-5-7-19/h3-13,17H,2,14-16,18H2,1H3,(H,31,33)(H2,30,32,34,39)