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

Systemtic Name: propyl 4-[2-[2,4-bis(bromanyl)phenoxy]ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(2,4-dibromophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2,4-dibromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2,4-dibromophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2,4-dibromophenoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C19H18Br2N2O4S MolecularWeight: 530.23022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Br2N2O4S/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)