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

Systemtic Name: propyl 4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: propyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(piperonyloylthiocarbamoylamino)benzoic acid propyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-2-9-24-18(23)12-3-6-14(7-4-12)20-19(27)21-17(22)13-5-8-15-16(10-13)26-11-25-15/h3-8,10H,2,9,11H2,1H3,(H2,20,21,22,27)