N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C29H28N4O4S MolecularWeight: 528.62202

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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)OCC(C)C)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)OCC(C)C)C

InChI

InChI=1S/C29H28N4O4S/c1-17(2)16-37-21-9-7-8-20(14-21)25-15-23(22-10-5-6-11-24(22)30-25)28(34)32-29(38)31-27-19(4)12-18(3)13-26(27)33(35)36/h5-15,17H,16H2,1-4H3,(H2,31,32,34,38)