8-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 8-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-cinchoninamide Formula: C25H18ClN3OS MolecularWeight: 443.94792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CC=C5)C#N

InChI

InChI=1S/C25H18ClN3OS/c26-20-11-6-10-17-18(13-21(28-23(17)20)15-7-2-1-3-8-15)24(30)29-25-19(14-27)16-9-4-5-12-22(16)31-25/h1-3,6-8,10-11,13H,4-5,9,12H2,(H,29,30)