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

Systemtic Name: propyl 4-[2-[2-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 4-[2-[2-[(3-bromo-4-butoxy-benzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid propyl ester IUPAC Name: propyl 4-[2-[2-[(3-bromo-4-butoxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3-bromo-4-butoxy-benzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid propyl ester Formula: C24H28BrN3O6S MolecularWeight: 566.46462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C(=O)OCCC)Br

InChI

InChI=1S/C24H28BrN3O6S/c1-3-5-13-32-20-11-8-17(14-19(20)25)22(30)26-24(35)28-27-21(29)15-34-18-9-6-16(7-10-18)23(31)33-12-4-2/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,27,29)(H2,26,28,30,35)