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

Systemtic Name: 2-(4-butoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-butoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-butoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-butoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-butoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C29H27N3O2S/c1-2-3-16-34-20-14-12-19(13-15-20)26-17-23(21-8-4-6-10-25(21)31-26)28(33)32-29-24(18-30)22-9-5-7-11-27(22)35-29/h4,6,8,10,12-15,17H,2-3,5,7,9,11,16H2,1H3,(H,32,33)