[4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)phenyl]methyl-dibutyl-azanium

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)phenyl]methyl-dibutyl-azanium Openeye Name: [4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)phenyl]methyl-dibutyl-ammonium CAS Name: [4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]phenyl]methyl-dibutylammonium IUPAC Name: [4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)phenyl]methyl-dibutylazanium Traditional Name: dibutyl-[4-(piperonyloylthiocarbamoylamino)benzyl]ammonium Formula: C24H32N3O3S+ MolecularWeight: 442.59418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC[NH+](CCCC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H31N3O3S/c1-3-5-13-27(14-6-4-2)16-18-7-10-20(11-8-18)25-24(31)26-23(28)19-9-12-21-22(15-19)30-17-29-21/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H2,25,26,28,31)/p+1