3-[[[(2R)-2-(4-chloranyl-2,6-dimethyl-phenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(2R)-2-(4-chloranyl-2,6-dimethyl-phenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[(2R)-2-(4-chloro-2,6-dimethyl-phenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2R)-2-(4-chloro-2,6-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(2R)-2-(4-chloro-2,6-dimethylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[(2R)-2-(4-chloro-2,6-dimethyl-phenoxy)propanoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H28ClN4O2S+ MolecularWeight: 387.94782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NNC(=S)NCCC[NH+](C)C)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1O[C@H](C)C(=O)NNC(=S)NCCC[NH+](C)C)C)Cl

InChI

InChI=1S/C17H27ClN4O2S/c1-11-9-14(18)10-12(2)15(11)24-13(3)16(23)20-21-17(25)19-7-6-8-22(4)5/h9-10,13H,6-8H2,1-5H3,(H,20,23)(H2,19,21,25)/p+1/t13-/m1/s1