4-(pentanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(pentanoylcarbamothioylamino)benzoic acid Openeye Name: 4-(pentanoylcarbamothioylamino)benzoic acid CAS Name: 4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(pentanoylcarbamothioylamino)benzoic acid Traditional Name: 4-(valerylthiocarbamoylamino)benzoic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-2-3-4-11(16)15-13(19)14-10-7-5-9(6-8-10)12(17)18/h5-8H,2-4H2,1H3,(H,17,18)(H2,14,15,16,19)