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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: N-cyclopropyl-2-[4-(piperonylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H25N4O3S+ MolecularWeight: 377.4811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H24N4O3S/c23-17(20-14-2-3-14)11-21-5-7-22(8-6-21)18(26)19-10-13-1-4-15-16(9-13)25-12-24-15/h1,4,9,14H,2-3,5-8,10-12H2,(H,19,26)(H,20,23)/p+1