3-[(3-bromophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(3-bromophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3-bromobenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-bromobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3-bromobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H11BrN2O3S MolecularWeight: 379.22844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O3S/c16-11-5-1-3-9(7-11)13(19)18-15(22)17-12-6-2-4-10(8-12)14(20)21/h1-8H,(H,20,21)(H2,17,18,19,22)