4-fluoranyl-N-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propyl]benzothiophene-2-carboxamide Formula: C18H15F4N3OS MolecularWeight: 397.389813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)NCCCNC3=NC=C(C=C3)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)NCCCNC3=NC=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C18H15F4N3OS/c19-13-3-1-4-14-12(13)9-15(27-14)17(26)24-8-2-7-23-16-6-5-11(10-25-16)18(20,21)22/h1,3-6,9-10H,2,7-8H2,(H,23,25)(H,24,26)