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

Systemtic Name: dimethyl-[2-[[2-[2-(phenylmethyl)phenoxy]ethanoylamino]carbamothioylamino]ethyl]azanium Openeye Name: 2-[[[2-(2-benzylphenoxy)acetyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[[[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-[[[2-(2-benzylphenoxy)acetyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[2-(2-benzylphenoxy)acetyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-24(2)13-12-21-20(27)23-22-19(25)15-26-18-11-7-6-10-17(18)14-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,22,25)(H2,21,23,27)/p+1