2-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3-pyridyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-pyridyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cinchoninamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C22H18N4OS/c27-21(26-22-25-18-9-3-4-10-20(18)28-22)16-12-19(14-6-5-11-23-13-14)24-17-8-2-1-7-15(16)17/h1-2,5-8,11-13H,3-4,9-10H2,(H,25,26,27)