N-[(2-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(3-isopropoxyphenyl)-N-[(2-nitrophenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: N-[(2-nitroanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(3-isopropoxyphenyl)-N-[(2-nitrophenyl)thiocarbamoyl]cinchoninamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O4S/c1-16(2)34-18-9-7-8-17(14-18)23-15-20(19-10-3-4-11-21(19)27-23)25(31)29-26(35)28-22-12-5-6-13-24(22)30(32)33/h3-16H,1-2H3,(H2,28,29,31,35)