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4-(butanoylcarbamothioylamino)benzoate

4-(butanoylcarbamothioylamino)benzoate

Systemtic Name:4-(butanoylcarbamothioylamino)benzoate
Openeye Name:4-(butanoylcarbamothioylamino)benzoate
CAS Name:4-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoate
IUPAC Name:4-(butanoylcarbamothioylamino)benzoate
Traditional Name:4-(butyrylthiocarbamoylamino)benzoate
Formula: C12H13N2O3S-
MolecularWeight: 265.30822
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H14N2O3S/c1-2-3-10(15)14-12(18)13-9-6-4-8(5-7-9)11(16)17/h4-7H,2-3H2,1H3,(H,16,17)(H2,13,14,15,18)/p-1


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