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ethyl 4-[(propanoylamino)carbamothioylamino]benzoate

ethyl 4-[(propanoylamino)carbamothioylamino]benzoate

Systemtic Name:ethyl 4-[(propanoylamino)carbamothioylamino]benzoate
Openeye Name:ethyl 4-[(propanoylamino)carbamothioylamino]benzoate
CAS Name:4-[[(1-oxopropylhydrazo)-sulfanylidenemethyl]amino]benzoic acid ethyl ester
IUPAC Name:ethyl 4-[(propanoylamino)carbamothioylamino]benzoate
Traditional Name:4-(propionamidothiocarbamoylamino)benzoic acid ethyl ester
Formula: C13H17N3O3S
MolecularWeight: 295.35738
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NNC(=S)NC1=CC=C(C=C1)C(=O)OCC


Isomeric SMILES

CCC(=O)NNC(=S)NC1=CC=C(C=C1)C(=O)OCC


InChI

InChI=1S/C13H17N3O3S/c1-3-11(17)15-16-13(20)14-10-7-5-9(6-8-10)12(18)19-4-2/h5-8H,3-4H2,1-2H3,(H,15,17)(H2,14,16,20)


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