4-(4-chloranylbutanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(4-chloranylbutanoylcarbamothioylamino)benzoic acid Openeye Name: 4-(4-chlorobutanoylcarbamothioylamino)benzoic acid CAS Name: 4-[[[(4-chloro-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(4-chlorobutanoylcarbamothioylamino)benzoic acid Traditional Name: 4-(4-chlorobutanoylthiocarbamoylamino)benzoic acid Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O3S/c13-7-1-2-10(16)15-12(19)14-9-5-3-8(4-6-9)11(17)18/h3-6H,1-2,7H2,(H,17,18)(H2,14,15,16,19)