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

Systemtic Name: 8-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: 8-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-propoxyphenyl)cinchoninamide Formula: C28H24ClN3O2S MolecularWeight: 502.02706

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C28H24ClN3O2S/c1-2-13-34-18-8-5-7-17(14-18)24-15-21(20-10-6-11-23(29)26(20)31-24)27(33)32-28-22(16-30)19-9-3-4-12-25(19)35-28/h5-8,10-11,14-15H,2-4,9,12-13H2,1H3,(H,32,33)