ethyl 4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(piperonyloylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16N2O5S/c1-2-23-17(22)11-3-6-13(7-4-11)19-18(26)20-16(21)12-5-8-14-15(9-12)25-10-24-14/h3-9H,2,10H2,1H3,(H2,19,20,21,26)