4-(1,3-benzothiazol-6-ylamino)-6-(phenylsulfonyl)quinoline-3-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-6-ylamino)-6-(phenylsulfonyl)quinoline-3-carboxamide Openeye Name: 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide CAS Name: 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)-3-quinolinecarboxamide IUPAC Name: 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide Traditional Name: 4-(1,3-benzothiazol-6-ylamino)-6-besyl-quinoline-3-carboxamide Formula: C23H16N4O3S2 MolecularWeight: 460.52814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C(=CN=C3C=C2)C(=O)N)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C(=CN=C3C=C2)C(=O)N)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C23H16N4O3S2/c24-23(28)18-12-25-19-9-7-16(32(29,30)15-4-2-1-3-5-15)11-17(19)22(18)27-14-6-8-20-21(10-14)31-13-26-20/h1-13H,(H2,24,28)(H,25,27)