N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C28H25N3O5S MolecularWeight: 515.5802

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O5S/c1-5-36-17-10-11-21-25(14-17)37-28(30-21)31-27(32)19-15-22(29-20-9-7-6-8-18(19)20)16-12-23(33-2)26(35-4)24(13-16)34-3/h6-15H,5H2,1-4H3,(H,30,31,32)