2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)ethyl-di(propan-2-yl)azanium Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)ethyl-diisopropyl-ammonium CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-(piperonylthiocarbamoylamino)ethyl]ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=S)NCC1=CC2=C(C=C1)OCO2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=S)NCC1=CC2=C(C=C1)OCO2)C(C)C

InChI

InChI=1S/C17H27N3O2S/c1-12(2)20(13(3)4)8-7-18-17(23)19-10-14-5-6-15-16(9-14)22-11-21-15/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H2,18,19,23)/p+1