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3-(butanoylcarbamothioylamino)benzoate

3-(butanoylcarbamothioylamino)benzoate

Systemtic Name:3-(butanoylcarbamothioylamino)benzoate
Openeye Name:3-(butanoylcarbamothioylamino)benzoate
CAS Name:3-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoate
IUPAC Name:3-(butanoylcarbamothioylamino)benzoate
Traditional Name:3-(butyrylthiocarbamoylamino)benzoate
Formula: C12H13N2O3S-
MolecularWeight: 265.30822
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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)/p-1


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