2-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2R)-2-(2,3-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C16H27N4O2S+ MolecularWeight: 339.47618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)C(=O)NNC(=S)NCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)O[C@H](C)C(=O)NNC(=S)NCC[NH+](C)C)C

InChI

InChI=1S/C16H26N4O2S/c1-11-7-6-8-14(12(11)2)22-13(3)15(21)18-19-16(23)17-9-10-20(4)5/h6-8,13H,9-10H2,1-5H3,(H,18,21)(H2,17,19,23)/p+1/t13-/m1/s1