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

Systemtic Name: 2-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2R)-2-(4-ethoxyphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C16H27N4O3S+ MolecularWeight: 355.47558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O3S/c1-5-22-13-6-8-14(9-7-13)23-12(2)15(21)18-19-16(24)17-10-11-20(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,21)(H2,17,19,24)/p+1/t12-/m1/s1