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

Systemtic Name: 3-(butanoylcarbamothioylamino)-4-chloranyl-benzoic acid Openeye Name: 3-(butanoylcarbamothioylamino)-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(butanoylcarbamothioylamino)-4-chlorobenzoic acid Traditional Name: 3-(butyrylthiocarbamoylamino)-4-chloro-benzoic acid Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C12H13ClN2O3S/c1-2-3-10(16)15-12(19)14-9-6-7(11(17)18)4-5-8(9)13/h4-6H,2-3H2,1H3,(H,17,18)(H2,14,15,16,19)