N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]carbamothioyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]carbamothioyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[[4-(benzofuran-2-yl)thiazol-2-yl]carbamothioyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[[[4-(2-benzofuranyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]carbamothioyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[[4-(benzofuran-2-yl)thiazol-2-yl]thiocarbamoyl]-2-phenyl-cinchoninamide Formula: C28H18N4O2S2 MolecularWeight: 506.59812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=NC(=CS4)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=NC(=CS4)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C28H18N4O2S2/c33-26(20-15-22(17-8-2-1-3-9-17)29-21-12-6-5-11-19(20)21)31-27(35)32-28-30-23(16-36-28)25-14-18-10-4-7-13-24(18)34-25/h1-16H,(H2,30,31,32,33,35)