N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-2-(2-thienyl)cinchoninamide Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C22H16BrN3O2S/c23-16-7-2-4-9-18(16)26-21(27)13-24-22(28)15-12-19(20-10-5-11-29-20)25-17-8-3-1-6-14(15)17/h1-12H,13H2,(H,24,28)(H,26,27)