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

Systemtic Name: 2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C15H25N4OS+ MolecularWeight: 309.4502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4OS/c1-11-6-5-7-12(2)14(11)18-13(20)10-17-15(21)16-8-9-19(3)4/h5-7H,8-10H2,1-4H3,(H,18,20)(H2,16,17,21)/p+1