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4-(ethanoylcarbamothioylamino)benzoate

4-(ethanoylcarbamothioylamino)benzoate

Systemtic Name:4-(ethanoylcarbamothioylamino)benzoate
Openeye Name:4-(acetylcarbamothioylamino)benzoate
CAS Name:4-[[acetamido(sulfanylidene)methyl]amino]benzoate
IUPAC Name:4-(acetylcarbamothioylamino)benzoate
Traditional Name:4-(acetylthiocarbamoylamino)benzoate
Formula: C10H9N2O3S-
MolecularWeight: 237.25506
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C10H10N2O3S/c1-6(13)11-10(16)12-8-4-2-7(3-5-8)9(14)15/h2-5H,1H3,(H,14,15)(H2,11,12,13,16)/p-1


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