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

Systemtic Name: dimethyl-[2-[[(2-phenylquinolin-4-yl)carbonylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[oxo-(2-phenyl-4-quinolinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(2-phenylquinoline-4-carbonyl)amino]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[(2-phenylquinoline-4-carbonyl)amino]thiocarbamoylamino]ethyl]ammonium Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-26(2)13-12-22-21(28)25-24-20(27)17-14-19(15-8-4-3-5-9-15)23-18-11-7-6-10-16(17)18/h3-11,14H,12-13H2,1-2H3,(H,24,27)(H2,22,25,28)/p+1