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

Systemtic Name: 7-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: 7-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(3-propoxyphenyl)cinchoninamide Formula: C29H26ClN3O2S MolecularWeight: 516.05364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

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