N-(3-acetamido-4-fluoranyl-phenyl)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-(3-acetamido-4-fluorophenyl)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(S2)CCC(C3)C(C)(C)C)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(S2)CCC(C3)C(C)(C)C)F

InChI

InChI=1S/C21H25FN2O2S/c1-12(25)23-17-11-15(6-7-16(17)22)24-20(26)19-10-13-9-14(21(2,3)4)5-8-18(13)27-19/h6-7,10-11,14H,5,8-9H2,1-4H3,(H,23,25)(H,24,26)