N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-propoxyphenyl)cinchoninamide Formula: C32H33N3O2S MolecularWeight: 523.68832

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)C[C@@H](CC5)C(C)(C)C)C#N

InChI

InChI=1S/C32H33N3O2S/c1-5-16-37-22-13-10-20(11-14-22)28-18-25(23-8-6-7-9-27(23)34-28)30(36)35-31-26(19-33)24-15-12-21(32(2,3)4)17-29(24)38-31/h6-11,13-14,18,21H,5,12,15-17H2,1-4H3,(H,35,36)/t21-/m1/s1