3-(butanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(butanoylcarbamothioylamino)benzoic acid Openeye Name: 3-(butanoylcarbamothioylamino)benzoic acid CAS Name: 3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(butanoylcarbamothioylamino)benzoic acid Traditional Name: 3-(butyrylthiocarbamoylamino)benzoic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S/c1-2-4-10(15)14-12(18)13-9-6-3-5-8(7-9)11(16)17/h3,5-7H,2,4H2,1H3,(H,16,17)(H2,13,14,15,18)