N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-methyl-2-thienyl)cinchoninamide Formula: C29H29N3OS2 MolecularWeight: 499.69006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)C

InChI

InChI=1S/C29H29N3OS2/c1-5-29(3,4)18-11-12-20-22(16-30)28(35-26(20)14-18)32-27(33)21-15-24(25-13-10-17(2)34-25)31-23-9-7-6-8-19(21)23/h6-10,13,15,18H,5,11-12,14H2,1-4H3,(H,32,33)