3-(pentanoylcarbamothioylamino)benzoate

Systemtic Name: 3-(pentanoylcarbamothioylamino)benzoate Openeye Name: 3-(pentanoylcarbamothioylamino)benzoate CAS Name: 3-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-(pentanoylcarbamothioylamino)benzoate Traditional Name: 3-(valerylthiocarbamoylamino)benzoate Formula: C13H15N2O3S- MolecularWeight: 279.3348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C13H16N2O3S/c1-2-3-7-11(16)15-13(19)14-10-6-4-5-9(8-10)12(17)18/h4-6,8H,2-3,7H2,1H3,(H,17,18)(H2,14,15,16,19)/p-1