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

Systemtic Name: 2-(4-chlorophenyl)-N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[(4-iodo-2-methyl-phenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[(4-iodo-2-methylanilino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[(4-iodo-2-methylphenyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(4-iodo-2-methyl-phenyl)thiocarbamoyl]cinchoninamide Formula: C24H17ClIN3OS MolecularWeight: 557.83375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H17ClIN3OS/c1-14-12-17(26)10-11-20(14)28-24(31)29-23(30)19-13-22(15-6-8-16(25)9-7-15)27-21-5-3-2-4-18(19)21/h2-13H,1H3,(H2,28,29,30,31)