2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(2-thienylmethyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(thiophen-2-ylmethyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[piperonylthiocarbamoyl(2-thenyl)amino]ethyl]ammonium Formula: C20H28N3O2S2+ MolecularWeight: 406.58522

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC1=CC=CS1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC)CCN(CC1=CC=CS1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H27N3O2S2/c1-3-22(4-2)9-10-23(14-17-6-5-11-27-17)20(26)21-13-16-7-8-18-19(12-16)25-15-24-18/h5-8,11-12H,3-4,9-10,13-15H2,1-2H3,(H,21,26)/p+1