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

Systemtic Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C28H26N4O4S MolecularWeight: 514.59544

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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)OC(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)OC(C)C)C

InChI

InChI=1S/C28H26N4O4S/c1-16(2)36-20-9-7-8-19(14-20)24-15-22(21-10-5-6-11-23(21)29-24)27(33)31-28(37)30-26-18(4)12-17(3)13-25(26)32(34)35/h5-16H,1-4H3,(H2,30,31,33,37)