N-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]-2-(2-chlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]-2-(2-chlorophenyl)quinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)-N-[[2-chloro-5-(1-piperidylsulfonyl)phenyl]carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-N-[[2-chloro-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)-N-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(2-chlorophenyl)-N-[(2-chloro-5-piperidinosulfonyl-phenyl)thiocarbamoyl]cinchoninamide Formula: C28H24Cl2N4O3S2 MolecularWeight: 599.55116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H24Cl2N4O3S2/c29-22-10-4-2-9-20(22)25-17-21(19-8-3-5-11-24(19)31-25)27(35)33-28(38)32-26-16-18(12-13-23(26)30)39(36,37)34-14-6-1-7-15-34/h2-5,8-13,16-17H,1,6-7,14-15H2,(H2,32,33,35,38)