2-(5-methylthiophen-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(5-methylthiophen-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(5-methyl-2-thienyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(5-methyl-2-thiophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(5-methylthiophen-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(5-methyl-2-thienyl)-N-(6-nitro-1,3-benzothiazol-2-yl)cinchoninamide Formula: C22H14N4O3S2 MolecularWeight: 446.50156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O3S2/c1-12-6-9-19(30-12)18-11-15(14-4-2-3-5-16(14)23-18)21(27)25-22-24-17-8-7-13(26(28)29)10-20(17)31-22/h2-11H,1H3,(H,24,25,27)