6-tert-butyl-2-[(3-ethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-[(3-ethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[(3-ethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[(3-ethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[(3-ethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[(3-ethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C22H28N2O3S/c1-5-27-15-8-6-7-13(11-15)20(26)24-21-18(19(23)25)16-10-9-14(22(2,3)4)12-17(16)28-21/h6-8,11,14H,5,9-10,12H2,1-4H3,(H2,23,25)(H,24,26)