6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[(2-ethyl-1-oxohexyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-(2-ethylhexanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H34N2O2S MolecularWeight: 378.57186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O2S/c1-6-8-9-13(7-2)19(25)23-20-17(18(22)24)15-11-10-14(21(3,4)5)12-16(15)26-20/h13-14H,6-12H2,1-5H3,(H2,22,24)(H,23,25)