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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(2-thienyl)cinchoninamide Formula: C22H15N3O3S3 MolecularWeight: 465.5678

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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=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H15N3O3S3/c1-31(27,28)13-8-9-17-20(11-13)30-22(24-17)25-21(26)15-12-18(19-7-4-10-29-19)23-16-6-3-2-5-14(15)16/h2-12H,1H3,(H,24,25,26)