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

Systemtic Name: 2-(2-ethylhexanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-(1,1-dimethylpropyl)-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2-ethylhexanoylamino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H36N2O2S MolecularWeight: 392.59844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O2S/c1-6-9-10-14(7-2)20(26)24-21-18(19(23)25)16-12-11-15(13-17(16)27-21)22(4,5)8-3/h14-15H,6-13H2,1-5H3,(H2,23,25)(H,24,26)