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

Systemtic Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O5S/c1-4-36-19-12-13-24(26(15-19)32(34)35)30-28(38)31-27(33)22-16-25(29-23-11-6-5-10-21(22)23)18-8-7-9-20(14-18)37-17(2)3/h5-17H,4H2,1-3H3,(H2,30,31,33,38)