5-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]-2-chloranyl-benzoate

Systemtic Name: 5-[(5-bromanylpyridin-3-yl)carbonylcarbamothioylamino]-2-chloranyl-benzoate Openeye Name: 5-[(5-bromopyridine-3-carbonyl)carbamothioylamino]-2-chloro-benzoate CAS Name: 5-[[[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoate IUPAC Name: 5-[(5-bromopyridine-3-carbonyl)carbamothioylamino]-2-chlorobenzoate Traditional Name: 5-[(5-bromonicotinoyl)thiocarbamoylamino]-2-chloro-benzoate Formula: C14H8BrClN3O3S- MolecularWeight: 413.65362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br)C(=O)[O-])Cl

InChI

InChI=1S/C14H9BrClN3O3S/c15-8-3-7(5-17-6-8)12(20)19-14(23)18-9-1-2-11(16)10(4-9)13(21)22/h1-6H,(H,21,22)(H2,18,19,20,23)/p-1