2-(3,4-dimethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)cinchoninamide Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C27H23N3O2S/c1-4-32-19-11-12-23-25(14-19)33-27(29-23)30-26(31)21-15-24(18-10-9-16(2)17(3)13-18)28-22-8-6-5-7-20(21)22/h5-15H,4H2,1-3H3,(H,29,30,31)