3-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2R)-2-(4-ethoxyphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H29N4O3S+ MolecularWeight: 369.50216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(C)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)O[C@H](C)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H28N4O3S/c1-5-23-14-7-9-15(10-8-14)24-13(2)16(22)19-20-17(25)18-11-6-12-21(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,22)(H2,18,20,25)/p+1/t13-/m1/s1