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

Systemtic Name: 2-(3-butoxyphenyl)-6-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C29H26ClN3O2S MolecularWeight: 516.05364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C29H26ClN3O2S/c1-2-3-13-35-20-8-6-7-18(14-20)26-16-23(22-15-19(30)11-12-25(22)32-26)28(34)33-29-24(17-31)21-9-4-5-10-27(21)36-29/h6-8,11-12,14-16H,2-5,9-10,13H2,1H3,(H,33,34)