2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-tert-butyl-ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-tert-butyl-ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-tert-butyl-acetamide CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-ethylamino]-N-tert-butylacetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-tert-butylacetamide Traditional Name: N-tert-butyl-2-[ethyl(piperonylthiocarbamoyl)amino]acetamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)(C)C)C(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCN(CC(=O)NC(C)(C)C)C(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H25N3O3S/c1-5-20(10-15(21)19-17(2,3)4)16(24)18-9-12-6-7-13-14(8-12)23-11-22-13/h6-8H,5,9-11H2,1-4H3,(H,18,24)(H,19,21)