[(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-chlorophenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-chlorophenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-chlorophenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-1-(2-chlorophenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-(2-chlorophenyl)ethyl]-diethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-(piperonylthiocarbamoylamino)ethyl]-diethyl-ammonium Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3Cl

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-3-25(4-2)18(16-7-5-6-8-17(16)22)13-24-21(28)23-12-15-9-10-19-20(11-15)27-14-26-19/h5-11,18H,3-4,12-14H2,1-2H3,(H2,23,24,28)/p+1/t18-/m1/s1