N-(2-aminocarbonylphenyl)-2-(5-bromanylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-aminocarbonylphenyl)-2-(5-bromanylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-(2-carbamoylphenyl)quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-(2-carbamoylphenyl)-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-(2-carbamoylphenyl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-(2-carbamoylphenyl)cinchoninamide Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Br)C(=O)NC4=CC=CC=C4C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Br)C(=O)NC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C21H14BrN3O2S/c22-19-10-9-18(28-19)17-11-14(12-5-1-3-7-15(12)24-17)21(27)25-16-8-4-2-6-13(16)20(23)26/h1-11H,(H2,23,26)(H,25,27)