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

Systemtic Name: dimethyl-[2-[[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[[2-(p-tolyl)quinoline-4-carbonyl]amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[[2-(p-tolyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]ethyl]ammonium Formula: C22H26N5OS+ MolecularWeight: 408.53974

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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)NCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-15-8-10-16(11-9-15)20-14-18(17-6-4-5-7-19(17)24-20)21(28)25-26-22(29)23-12-13-27(2)3/h4-11,14H,12-13H2,1-3H3,(H,25,28)(H2,23,26,29)/p+1