3-[[2-(3,4-dimethylphenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(3,4-dimethylphenoxy)ethanoylamino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(3,4-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[2-(3,4-dimethylphenoxy)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H27N4O2S+ MolecularWeight: 339.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NNC(=S)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NNC(=S)NCCC[NH+](C)C)C

InChI

InChI=1S/C16H26N4O2S/c1-12-6-7-14(10-13(12)2)22-11-15(21)18-19-16(23)17-8-5-9-20(3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,18,21)(H2,17,19,23)/p+1