3-(hexanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(hexanoylcarbamothioylamino)benzoic acid Openeye Name: 3-(hexanoylcarbamothioylamino)benzoic acid CAS Name: 3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(hexanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(caproylthiocarbamoylamino)benzoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-2-3-4-8-12(17)16-14(20)15-11-7-5-6-10(9-11)13(18)19/h5-7,9H,2-4,8H2,1H3,(H,18,19)(H2,15,16,17,20)