4-chloranyl-3-(4-chloranylbutanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(4-chloranylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 4-chloro-3-(4-chlorobutanoylcarbamothioylamino)benzoic acid CAS Name: 4-chloro-3-[[[(4-chloro-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(4-chlorobutanoylcarbamothioylamino)benzoic acid Traditional Name: 4-chloro-3-(4-chlorobutanoylthiocarbamoylamino)benzoic acid Formula: C12H12Cl2N2O3S MolecularWeight: 335.20628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)CCCCl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)CCCCl)Cl

InChI

InChI=1S/C12H12Cl2N2O3S/c13-5-1-2-10(17)16-12(20)15-9-6-7(11(18)19)3-4-8(9)14/h3-4,6H,1-2,5H2,(H,18,19)(H2,15,16,17,20)