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

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C21H23BrN2OS2 MolecularWeight: 463.45412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2OS2/c1-21(2,3)13-4-9-16-17(11-23)20(27-18(16)10-13)24-19(25)12-26-15-7-5-14(22)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,24,25)/t13-/m0/s1