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

Systemtic Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C31H31N3O2S MolecularWeight: 509.66174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

InChI

InChI=1S/C31H31N3O2S/c1-3-5-15-36-22-10-8-9-21(17-22)28-18-25(23-11-6-7-12-27(23)33-28)30(35)34-31-26(19-32)24-14-13-20(4-2)16-29(24)37-31/h6-12,17-18,20H,3-5,13-16H2,1-2H3,(H,34,35)