2-(2-chlorophenyl)-N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(2-chlorophenyl)-N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]quinoline-4-carboxamide Openeye Name: N-[benzyl(2-pyridyl)carbamothioyl]-2-(2-chlorophenyl)quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-N-[[(phenylmethyl)-(2-pyridinyl)amino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: N-[benzyl(pyridin-2-yl)carbamothioyl]-2-(2-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[benzyl(2-pyridyl)thiocarbamoyl]-2-(2-chlorophenyl)cinchoninamide Formula: C29H21ClN4OS MolecularWeight: 509.02124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C29H21ClN4OS/c30-24-14-6-4-13-22(24)26-18-23(21-12-5-7-15-25(21)32-26)28(35)33-29(36)34(27-16-8-9-17-31-27)19-20-10-2-1-3-11-20/h1-18H,19H2,(H,33,35,36)