N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(p-tolylthio)acetamide Formula: C22H26N2OS2 MolecularWeight: 398.58464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C#N

InChI

InChI=1S/C22H26N2OS2/c1-14-5-8-16(9-6-14)26-13-20(25)24-21-18(12-23)17-10-7-15(22(2,3)4)11-19(17)27-21/h5-6,8-9,15H,7,10-11,13H2,1-4H3,(H,24,25)/t15-/m1/s1