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

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)phenyl]methyl-diethyl-azanium Openeye Name: [4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]phenyl]methyl-diethylammonium IUPAC Name: [4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-(piperonyloylthiocarbamoylamino)benzyl]ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-3-23(4-2)12-14-5-8-16(9-6-14)21-20(27)22-19(24)15-7-10-17-18(11-15)26-13-25-17/h5-11H,3-4,12-13H2,1-2H3,(H2,21,22,24,27)/p+1