3-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H27N4OS+ MolecularWeight: 323.47678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NCCC[NH+](C)C

InChI

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