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

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-cinchoninamide Formula: C32H33N3O2S MolecularWeight: 523.68832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33N3O2S/c1-6-32(3,4)21-13-16-23-25(18-33)31(38-27(23)17-21)35-30(36)28-19(2)29(20-11-14-22(37-5)15-12-20)34-26-10-8-7-9-24(26)28/h7-12,14-15,21H,6,13,16-17H2,1-5H3,(H,35,36)