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

Systemtic Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide Openeye Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]adamantane-1-carboxamide CAS Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide Traditional Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]adamantane-1-carboxamide Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N2OS/c1-23(2,3)17-4-5-18-19(13-25)21(28-20(18)9-17)26-22(27)24-10-14-6-15(11-24)8-16(7-14)12-24/h14-17H,4-12H2,1-3H3,(H,26,27)/t14?,15?,16?,17-,24?/m0/s1