5-bromanyl-2-(2-phenylethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(2-phenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 5-bromo-2-[(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O3S/c17-11-6-7-13(12(9-11)15(21)22)18-16(23)19-14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,21,22)(H2,18,19,20,23)