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4-(furan-2-ylmethylcarbamothioylamino)benzoate

4-(furan-2-ylmethylcarbamothioylamino)benzoate

Systemtic Name:4-(furan-2-ylmethylcarbamothioylamino)benzoate
Openeye Name:4-(2-furylmethylcarbamothioylamino)benzoate
CAS Name:4-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]benzoate
IUPAC Name:4-(furan-2-ylmethylcarbamothioylamino)benzoate
Traditional Name:4-(2-furfurylthiocarbamoylamino)benzoate
Formula: C13H11N2O3S-
MolecularWeight: 275.30304
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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)[O-]


Isomeric SMILES

C1=COC(=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)[O-]


InChI

InChI=1S/C13H12N2O3S/c16-12(17)9-3-5-10(6-4-9)15-13(19)14-8-11-2-1-7-18-11/h1-7H,8H2,(H,16,17)(H2,14,15,19)/p-1


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