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

Systemtic Name: propyl 4-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C19H18BrClN2O4S MolecularWeight: 485.77922

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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)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrClN2O4S/c1-2-9-26-18(25)12-3-6-14(7-4-12)22-19(28)23-17(24)11-27-16-8-5-13(20)10-15(16)21/h3-8,10H,2,9,11H2,1H3,(H2,22,23,24,28)