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

Systemtic Name: dimethyl-[3-[[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[[2-(p-tolyl)quinoline-4-carbonyl]amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[[2-(p-tolyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]propyl]ammonium Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H27N5OS/c1-16-9-11-17(12-10-16)21-15-19(18-7-4-5-8-20(18)25-21)22(29)26-27-23(30)24-13-6-14-28(2)3/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,26,29)(H2,24,27,30)/p+1