3-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic acid Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H15BrN2O4S/c1-10-13(16(22)23)3-2-4-14(10)19-17(25)20-15(21)9-24-12-7-5-11(18)6-8-12/h2-8H,9H2,1H3,(H,22,23)(H2,19,20,21,25)