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

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)cinchoninamide Formula: C25H18N4O3S MolecularWeight: 454.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C25H18N4O3S/c1-14-7-8-16(11-15(14)2)22-13-19(18-5-3-4-6-20(18)26-22)24(30)28-25-27-21-10-9-17(29(31)32)12-23(21)33-25/h3-13H,1-2H3,(H,27,28,30)