2-phenyl-N-(pyridin-1-ium-2-ylcarbamothioyl)quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-(pyridin-1-ium-2-ylcarbamothioyl)quinoline-4-carboxamide Openeye Name: 2-phenyl-N-(pyridin-1-ium-2-ylcarbamothioyl)quinoline-4-carboxamide CAS Name: 2-phenyl-N-[(2-pyridin-1-iumylamino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-(pyridin-1-ium-2-ylcarbamothioyl)quinoline-4-carboxamide Traditional Name: 2-phenyl-N-(pyridin-1-ium-2-ylthiocarbamoyl)cinchoninamide Formula: C22H17N4OS+ MolecularWeight: 385.46158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H16N4OS/c27-21(26-22(28)25-20-12-6-7-13-23-20)17-14-19(15-8-2-1-3-9-15)24-18-11-5-4-10-16(17)18/h1-14H,(H2,23,25,26,27,28)/p+1