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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

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