5-tert-butyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-tert-butyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-tert-butyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-tert-butyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-tert-butyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-tert-butyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H22F3NOS MolecularWeight: 381.45499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3NOS/c1-19(2,3)14-6-9-16-12(10-14)11-17(26-16)18(25)24-15-7-4-13(5-8-15)20(21,22)23/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,24,25)