(6S)-2-(1-adamantylcarbonylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-(1-adamantylcarbonylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-(adamantane-1-carbonylamino)-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[1-adamantyl(oxo)methyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-(adamantane-1-carbonylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-(adamantane-1-carbonylamino)-6-tert-amyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2S/c1-4-24(2,3)17-5-6-18-19(10-17)30-22(20(18)21(26)28)27-23(29)25-11-14-7-15(12-25)9-16(8-14)13-25/h14-17H,4-13H2,1-3H3,(H2,26,28)(H,27,29)/t14?,15?,16?,17-,25?/m0/s1