dimethyl-[3-[[2-[2-(phenylmethyl)phenoxy]ethanoylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[2-[2-(phenylmethyl)phenoxy]ethanoylamino]carbamothioylamino]propyl]azanium Openeye Name: 3-[[[2-(2-benzylphenoxy)acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-[[[2-(2-benzylphenoxy)acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(2-benzylphenoxy)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C21H28N4O2S/c1-25(2)14-8-13-22-21(28)24-23-20(26)16-27-19-12-7-6-11-18(19)15-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3,(H,23,26)(H2,22,24,28)/p+1