3-[[2,5-bis(oxidanylidene)-4,4-diphenyl-imidazolidin-1-yl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2,5-bis(oxidanylidene)-4,4-diphenyl-imidazolidin-1-yl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2,5-dioxo-4,4-diphenyl-imidazolidin-1-yl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(2,5-dioxo-4,4-diphenyl-1-imidazolidinyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC(=S)NN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-25(2)15-9-14-22-19(29)24-26-18(27)21(23-20(26)28,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,23,28)(H2,22,24,29)/p+1