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

Systemtic Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methyl-benzamide Openeye Name: N-[(6S)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-benzamide CAS Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide IUPAC Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide Traditional Name: N-[(6S)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methyl-benzamide Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H26N2OS/c1-5-22(3,4)15-10-11-17-18(13-23)21(26-19(17)12-15)24-20(25)16-9-7-6-8-14(16)2/h6-9,15H,5,10-12H2,1-4H3,(H,24,25)/t15-/m0/s1