2-(3-bromophenyl)-N-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-[[2-(4-cyanophenoxy)ethanoylamino]carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[[[2-(4-cyanophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-[[[2-(4-cyanophenoxy)acetyl]amino]carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-[[[2-(4-cyanophenoxy)acetyl]amino]thiocarbamoyl]cinchoninamide Formula: C26H18BrN5O3S MolecularWeight: 560.42182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC(=S)NNC(=O)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC(=S)NNC(=O)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H18BrN5O3S/c27-18-5-3-4-17(12-18)23-13-21(20-6-1-2-7-22(20)29-23)25(34)30-26(36)32-31-24(33)15-35-19-10-8-16(14-28)9-11-19/h1-13H,15H2,(H,31,33)(H2,30,32,34,36)