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

Systemtic Name: 2-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: N-[(4-benzyloxyphenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 2-phenyl-N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[(4-phenylmethoxyphenyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: N-[(4-benzoxyphenyl)thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C30H23N3O2S MolecularWeight: 489.58752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C30H23N3O2S/c34-29(26-19-28(22-11-5-2-6-12-22)32-27-14-8-7-13-25(26)27)33-30(36)31-23-15-17-24(18-16-23)35-20-21-9-3-1-4-10-21/h1-19H,20H2,(H2,31,33,34,36)