2-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-3,5-bis(chloranyl)benzoic acid

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-3,5-bis(chloranyl)benzoic acid Openeye Name: 2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-3,5-dichloro-benzoic acid CAS Name: 2-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3,5-dichlorobenzoic acid IUPAC Name: 2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-3,5-dichlorobenzoic acid Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]-3,5-dichloro-benzoic acid Formula: C16H11BrCl2N2O4S MolecularWeight: 478.14454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Cl)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Cl)Cl)Br

InChI

InChI=1S/C16H11BrCl2N2O4S/c17-8-1-3-10(4-2-8)25-7-13(22)20-16(26)21-14-11(15(23)24)5-9(18)6-12(14)19/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)