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

Systemtic Name: 2-(3-bromophenyl)-6-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C25H17BrClN3OS MolecularWeight: 522.84398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC(=CC=C5)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC(=CC=C5)Br)C#N

InChI

InChI=1S/C25H17BrClN3OS/c26-15-5-3-4-14(10-15)22-12-19(18-11-16(27)8-9-21(18)29-22)24(31)30-25-20(13-28)17-6-1-2-7-23(17)32-25/h3-5,8-12H,1-2,6-7H2,(H,30,31)