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

Systemtic Name: 2-(dodecanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-(1,1-dimethylpropyl)-2-(dodecanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-(2-methylbutan-2-yl)-2-(1-oxododecylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(dodecanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-(lauroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H44N2O2S MolecularWeight: 448.70476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C(=O)N

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C(=O)N

InChI

InChI=1S/C26H44N2O2S/c1-5-7-8-9-10-11-12-13-14-15-22(29)28-25-23(24(27)30)20-17-16-19(18-21(20)31-25)26(3,4)6-2/h19H,5-18H2,1-4H3,(H2,27,30)(H,28,29)