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

Systemtic Name: 2-[[[(2R)-2-(4-chloranyl-2,6-dimethyl-phenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[(2R)-2-(4-chloro-2,6-dimethyl-phenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2R)-2-(4-chloro-2,6-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[(2R)-2-(4-chloro-2,6-dimethylphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[(2R)-2-(4-chloro-2,6-dimethyl-phenoxy)propanoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C16H26ClN4O2S+ MolecularWeight: 373.92124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN4O2S/c1-10-8-13(17)9-11(2)14(10)23-12(3)15(22)19-20-16(24)18-6-7-21(4)5/h8-9,12H,6-7H2,1-5H3,(H,19,22)(H2,18,20,24)/p+1/t12-/m1/s1