2-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2R)-2-(4-cyanophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C15H22N5O2S+ MolecularWeight: 336.43248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCC[NH+](C)C)OC1=CC=C(C=C1)C#N

Isomeric SMILES

C[C@H](C(=O)NNC(=S)NCC[NH+](C)C)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H21N5O2S/c1-11(22-13-6-4-12(10-16)5-7-13)14(21)18-19-15(23)17-8-9-20(2)3/h4-7,11H,8-9H2,1-3H3,(H,18,21)(H2,17,19,23)/p+1/t11-/m1/s1