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

Systemtic Name: 2-(4-chlorophenyl)-N-[phenyl-(phenylmethyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: N-[benzyl(phenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: N-[benzyl(phenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[benzyl(phenyl)thiocarbamoyl]-2-(4-chlorophenyl)cinchoninamide Formula: C30H22ClN3OS MolecularWeight: 508.03318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H22ClN3OS/c31-23-17-15-22(16-18-23)28-19-26(25-13-7-8-14-27(25)32-28)29(35)33-30(36)34(24-11-5-2-6-12-24)20-21-9-3-1-4-10-21/h1-19H,20H2,(H,33,35,36)