2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: N-tert-butyl-2-[4-(piperonylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H28N4O3S/c1-19(2,3)21-17(24)12-22-6-8-23(9-7-22)18(27)20-11-14-4-5-15-16(10-14)26-13-25-15/h4-5,10H,6-9,11-13H2,1-3H3,(H,20,27)(H,21,24)/p+1