propyl 4-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)CC)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)CC)Br

InChI

InChI=1S/C21H23BrN2O4S/c1-3-11-27-20(26)15-6-8-16(9-7-15)23-21(29)24-19(25)13-28-18-10-5-14(4-2)12-17(18)22/h5-10,12H,3-4,11,13H2,1-2H3,(H2,23,24,25,29)