6-ethanoyl-N-[[(2-methylphenyl)amino]carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide

Systemtic Name: 6-ethanoyl-N-[[(2-methylphenyl)amino]carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide Openeye Name: 6-acetyl-N-[(2-methylanilino)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide CAS Name: 6-acetyl-N-[[(2-methylphenyl)hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: 6-acetyl-N-[(2-methylanilino)carbamothioyl]-2-(4-nitrophenyl)quinoline-4-carboxamide Traditional Name: 6-acetyl-2-(4-nitrophenyl)-N-(o-toluidinothiocarbamoyl)cinchoninamide Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NNC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NNC(=S)NC(=O)C2=CC(=NC3=C2C=C(C=C3)C(=O)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O4S/c1-15-5-3-4-6-22(15)29-30-26(36)28-25(33)21-14-24(17-7-10-19(11-8-17)31(34)35)27-23-12-9-18(16(2)32)13-20(21)23/h3-14,29H,1-2H3,(H2,28,30,33,36)