5-bromanyl-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-[(2,4-dichlorophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-[(2,4-dichlorobenzyl)thio]acetyl]amino]benzoic acid Formula: C16H12BrCl2NO3S MolecularWeight: 449.14638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H12BrCl2NO3S/c17-10-2-4-14(12(5-10)16(22)23)20-15(21)8-24-7-9-1-3-11(18)6-13(9)19/h1-6H,7-8H2,(H,20,21)(H,22,23)