N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(6S)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-fluoro-benzamide CAS Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide IUPAC Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-fluorobenzamide Traditional Name: N-[(6S)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-fluoro-benzamide Formula: C21H23FN2OS MolecularWeight: 370.483523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2OS/c1-4-21(2,3)14-7-10-16-17(12-23)20(26-18(16)11-14)24-19(25)13-5-8-15(22)9-6-13/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H,24,25)/t14-/m0/s1