2-[3-(2-methylpropoxy)phenyl]-N-[(2-nitrophenyl)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-[3-(2-methylpropoxy)phenyl]-N-[(2-nitrophenyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(3-isobutoxyphenyl)-N-[(2-nitrophenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-[3-(2-methylpropoxy)phenyl]-N-[(2-nitroanilino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-[3-(2-methylpropoxy)phenyl]-N-[(2-nitrophenyl)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(3-isobutoxyphenyl)-N-[(2-nitrophenyl)thiocarbamoyl]cinchoninamide Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O4S/c1-17(2)16-35-19-9-7-8-18(14-19)24-15-21(20-10-3-4-11-22(20)28-24)26(32)30-27(36)29-23-12-5-6-13-25(23)31(33)34/h3-15,17H,16H2,1-2H3,(H2,29,30,32,36)