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

Systemtic Name: 6-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-propoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-propoxyphenyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-propoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-propoxyphenyl)cinchoninamide Formula: C28H24ClN3O2S MolecularWeight: 502.02706

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C28H24ClN3O2S/c1-2-13-34-25-9-5-3-8-19(25)24-15-21(20-14-17(29)11-12-23(20)31-24)27(33)32-28-22(16-30)18-7-4-6-10-26(18)35-28/h3,5,8-9,11-12,14-15H,2,4,6-7,10,13H2,1H3,(H,32,33)