N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-isopropylphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-p-cumenyl-cinchoninamide Formula: C30H29N3OS MolecularWeight: 479.63576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C30H29N3OS/c1-4-19-9-14-23-25(17-31)30(35-28(23)15-19)33-29(34)24-16-27(32-26-8-6-5-7-22(24)26)21-12-10-20(11-13-21)18(2)3/h5-8,10-13,16,18-19H,4,9,14-15H2,1-3H3,(H,33,34)/t19-/m1/s1