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

Systemtic Name: 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-butoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-butoxyphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)cinchoninamide Formula: C28H25N3O4S2 MolecularWeight: 531.6458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C28H25N3O4S2/c1-3-4-15-35-19-11-9-18(10-12-19)25-17-22(21-7-5-6-8-23(21)29-25)27(32)31-28-30-24-14-13-20(37(2,33)34)16-26(24)36-28/h5-14,16-17H,3-4,15H2,1-2H3,(H,30,31,32)