3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2S)-2-(4-cyanophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H24N5O2S+ MolecularWeight: 350.45906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O2S/c1-12(23-14-7-5-13(11-17)6-8-14)15(22)19-20-16(24)18-9-4-10-21(2)3/h5-8,12H,4,9-10H2,1-3H3,(H,19,22)(H2,18,20,24)/p+1/t12-/m0/s1