2-(5-chloranylthiophen-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(5-chloro-2-thienyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(5-chloro-2-thiophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(5-chloro-2-thienyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)cinchoninamide Formula: C22H14ClN3O3S3 MolecularWeight: 500.01286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)Cl

InChI

InChI=1S/C22H14ClN3O3S3/c1-32(28,29)12-6-7-16-19(10-12)31-22(25-16)26-21(27)14-11-17(18-8-9-20(23)30-18)24-15-5-3-2-4-13(14)15/h2-11H,1H3,(H,25,26,27)