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

Systemtic Name: N-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]-2-(2-chlorophenyl)quinoline-4-carboxamide Openeye Name: 2-(2-chlorophenyl)-N-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(2-chlorophenyl)-N-[[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(2-chlorophenyl)-N-[(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(2-chlorophenyl)-N-[(2-chloro-5-pyrrolidinosulfonyl-phenyl)thiocarbamoyl]cinchoninamide Formula: C27H22Cl2N4O3S2 MolecularWeight: 585.52458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C27H22Cl2N4O3S2/c28-21-9-3-1-8-19(21)24-16-20(18-7-2-4-10-23(18)30-24)26(34)32-27(37)31-25-15-17(11-12-22(25)29)38(35,36)33-13-5-6-14-33/h1-4,7-12,15-16H,5-6,13-14H2,(H2,31,32,34,37)