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

Systemtic Name: butyl 4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: butyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(piperonyloylthiocarbamoylamino)benzoic acid butyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-2-3-10-25-19(24)13-4-7-15(8-5-13)21-20(28)22-18(23)14-6-9-16-17(11-14)27-12-26-16/h4-9,11H,2-3,10,12H2,1H3,(H2,21,22,23,28)