3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(2-ethylanilino)-2-oxo-ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(2-ethylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(2-ethylanilino)-2-keto-ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H27N4OS+ MolecularWeight: 323.47678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C16H26N4OS/c1-4-13-8-5-6-9-14(13)19-15(21)12-18-16(22)17-10-7-11-20(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,19,21)(H2,17,18,22)/p+1