2-chloranyl-4-(propanoylcarbamothioylamino)benzoic acid

Systemtic Name: 2-chloranyl-4-(propanoylcarbamothioylamino)benzoic acid Openeye Name: 2-chloro-4-(propanoylcarbamothioylamino)benzoic acid CAS Name: 2-chloro-4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-(propanoylcarbamothioylamino)benzoic acid Traditional Name: 2-chloro-4-(propionylthiocarbamoylamino)benzoic acid Formula: C11H11ClN2O3S MolecularWeight: 286.73464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN2O3S/c1-2-9(15)14-11(18)13-6-3-4-7(10(16)17)8(12)5-6/h3-5H,2H2,1H3,(H,16,17)(H2,13,14,15,18)