N-(pentylcarbamothioyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(pentylcarbamothioyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(pentylcarbamothioyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(pentylamino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(pentylcarbamothioyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(amylthiocarbamoyl)-piperonylamide Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCNC(=S)NC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H18N2O3S/c1-2-3-4-7-15-14(20)16-13(17)10-5-6-11-12(8-10)19-9-18-11/h5-6,8H,2-4,7,9H2,1H3,(H2,15,16,17,20)