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

Systemtic Name: N-[(4-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(3-isopropoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: N-[(4-nitroanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(4-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(3-isopropoxyphenyl)-N-[(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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