2-(4-chlorophenyl)-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[(thiophene-2-carbonylamino)carbamothioyl]quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[(2-thenoylamino)thiocarbamoyl]cinchoninamide Formula: C22H15ClN4O2S2 MolecularWeight: 466.9631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NC(=S)NNC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NC(=S)NNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H15ClN4O2S2/c23-14-9-7-13(8-10-14)18-12-16(15-4-1-2-5-17(15)24-18)20(28)25-22(30)27-26-21(29)19-6-3-11-31-19/h1-12H,(H,26,29)(H2,25,27,28,30)