2-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-p-phenetyl-cinchoninamide Formula: C25H18N4O4S MolecularWeight: 470.49982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O4S/c1-2-33-17-10-7-15(8-11-17)22-14-19(18-5-3-4-6-20(18)26-22)24(30)28-25-27-21-12-9-16(29(31)32)13-23(21)34-25/h3-14H,2H2,1H3,(H,27,28,30)