N-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-[6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylphenyl)cinchoninamide Formula: C32H36N2OS MolecularWeight: 496.70604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(S4)CC(CC5)C(C)(C)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(S4)CC(CC5)C(C)(C)CC

InChI

InChI=1S/C32H36N2OS/c1-5-9-21-12-14-22(15-13-21)28-20-26(25-10-7-8-11-27(25)33-28)31(35)34-30-18-23-16-17-24(19-29(23)36-30)32(3,4)6-2/h7-8,10-15,18,20,24H,5-6,9,16-17,19H2,1-4H3,(H,34,35)