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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(piperonyloylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c1-22-16(21)10-2-5-12(6-3-10)18-17(25)19-15(20)11-4-7-13-14(8-11)24-9-23-13/h2-8H,9H2,1H3,(H2,18,19,20,25)