2-phenyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-phenyl-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]quinoline-4-carboxamide CAS Name: 2-phenyl-N-[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-phenyl-N-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoyl]cinchoninamide Formula: C26H19N5O3S3 MolecularWeight: 545.65576

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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)S(=O)(=O)NC5=NC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5

InChI

InChI=1S/C26H19N5O3S3/c32-24(21-16-23(17-6-2-1-3-7-17)29-22-9-5-4-8-20(21)22)30-25(35)28-18-10-12-19(13-11-18)37(33,34)31-26-27-14-15-36-26/h1-16H,(H,27,31)(H2,28,30,32,35)