N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C25H18N4OS2 MolecularWeight: 454.56662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4OS2/c26-14-19-17-10-6-12-22(17)32-24(19)29-25(31)28-23(30)18-13-21(15-7-2-1-3-8-15)27-20-11-5-4-9-16(18)20/h1-5,7-9,11,13H,6,10,12H2,(H2,28,29,30,31)