2-chloranyl-4-(pentanoylcarbamothioylamino)benzoic acid

Systemtic Name: 2-chloranyl-4-(pentanoylcarbamothioylamino)benzoic acid Openeye Name: 2-chloro-4-(pentanoylcarbamothioylamino)benzoic acid CAS Name: 2-chloro-4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-(pentanoylcarbamothioylamino)benzoic acid Traditional Name: 2-chloro-4-(valerylthiocarbamoylamino)benzoic acid Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3S/c1-2-3-4-11(17)16-13(20)15-8-5-6-9(12(18)19)10(14)7-8/h5-7H,2-4H2,1H3,(H,18,19)(H2,15,16,17,20)