dimethyl-[3-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[(2-phenylquinoline-4-carbonyl)amino]thiocarbamoylamino]propyl]ammonium Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5OS/c1-27(2)14-8-13-23-22(29)26-25-21(28)18-15-20(16-9-4-3-5-10-16)24-19-12-7-6-11-17(18)19/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,25,28)(H2,23,26,29)/p+1