3-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-(diethylcarbamoyl)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[3-(diethylcarbamoyl)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H29N4OS+ MolecularWeight: 337.50336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H28N4OS/c1-5-21(6-2)16(22)14-9-7-10-15(13-14)19-17(23)18-11-8-12-20(3)4/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H2,18,19,23)/p+1