2-chloranyl-4-(propanoylcarbamothioylamino)benzoate

Systemtic Name: 2-chloranyl-4-(propanoylcarbamothioylamino)benzoate Openeye Name: 2-chloro-4-(propanoylcarbamothioylamino)benzoate CAS Name: 2-chloro-4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-4-(propanoylcarbamothioylamino)benzoate Traditional Name: 2-chloro-4-(propionylthiocarbamoylamino)benzoate Formula: C11H10ClN2O3S- MolecularWeight: 285.7267

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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)/p-1