3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C18H17BrN2O4S/c1-10-6-11(2)16(14(19)7-10)25-9-15(22)21-18(26)20-13-5-3-4-12(8-13)17(23)24/h3-8H,9H2,1-2H3,(H,23,24)(H2,20,21,22,26)