5-bromanyl-2-(4-chloranylbutanoylcarbamothioylamino)benzoic acid

Systemtic Name: 5-bromanyl-2-(4-chloranylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 5-bromo-2-(4-chlorobutanoylcarbamothioylamino)benzoic acid CAS Name: 5-bromo-2-[[[(4-chloro-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-(4-chlorobutanoylcarbamothioylamino)benzoic acid Traditional Name: 5-bromo-2-(4-chlorobutanoylthiocarbamoylamino)benzoic acid Formula: C12H12BrClN2O3S MolecularWeight: 379.65728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)CCCCl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C12H12BrClN2O3S/c13-7-3-4-9(8(6-7)11(18)19)15-12(20)16-10(17)2-1-5-14/h3-4,6H,1-2,5H2,(H,18,19)(H2,15,16,17,20)