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

Systemtic Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide Openeye Name: N-[(6S)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]adamantane-1-carboxamide CAS Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide Traditional Name: N-[(6S)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]adamantane-1-carboxamide Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2OS/c1-4-24(2,3)18-5-6-19-20(14-26)22(29-21(19)10-18)27-23(28)25-11-15-7-16(12-25)9-17(8-15)13-25/h15-18H,4-13H2,1-3H3,(H,27,28)/t15?,16?,17?,18-,25?/m0/s1