butyl 4-[2-(4-phenylmethoxyphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[2-(4-phenylmethoxyphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[2-(4-benzyloxyphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-oxo-2-(4-phenylmethoxyphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-benzoxyphenoxy)acetyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O5S/c1-2-3-17-32-26(31)21-9-11-22(12-10-21)28-27(35)29-25(30)19-34-24-15-13-23(14-16-24)33-18-20-7-5-4-6-8-20/h4-16H,2-3,17-19H2,1H3,(H2,28,29,30,35)