N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C25H20N4O3S/c1-15-12-16(2)23(22(13-15)29(31)32)27-25(33)28-24(30)19-14-21(17-8-4-3-5-9-17)26-20-11-7-6-10-18(19)20/h3-14H,1-2H3,(H2,27,28,30,33)