3-[[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2S)-2-(2,3-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H29N4O2S+ MolecularWeight: 353.50276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O2S/c1-12-8-6-9-15(13(12)2)23-14(3)16(22)19-20-17(24)18-10-7-11-21(4)5/h6,8-9,14H,7,10-11H2,1-5H3,(H,19,22)(H2,18,20,24)/p+1/t14-/m0/s1