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

Systemtic Name: N-[(4-iodophenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(4-iodophenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(4-iodoanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(4-iodophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(4-iodophenyl)thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C23H16IN3OS MolecularWeight: 509.36211

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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=C(C=C4)I

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)I

InChI

InChI=1S/C23H16IN3OS/c24-16-10-12-17(13-11-16)25-23(29)27-22(28)19-14-21(15-6-2-1-3-7-15)26-20-9-5-4-8-18(19)20/h1-14H,(H2,25,27,28,29)