2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(pentanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-(pentanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2,2,2-trifluoro-1-(pentanoylamino)-1-(trifluoromethyl)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1,1,1,3,3,3-hexafluoro-2-(1-oxopentylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[1,1,1,3,3,3-hexafluoro-2-(pentanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2,2,2-trifluoro-1-(trifluoromethyl)-1-(valerylamino)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H21F6N3O2S MolecularWeight: 445.422959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)N

Isomeric SMILES

CCCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)N

InChI

InChI=1S/C17H21F6N3O2S/c1-2-3-8-11(27)25-15(16(18,19)20,17(21,22)23)26-14-12(13(24)28)9-6-4-5-7-10(9)29-14/h26H,2-8H2,1H3,(H2,24,28)(H,25,27)