N-butyl-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-butyl-2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H24ClFN2O2S MolecularWeight: 422.943863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2O2S/c1-2-3-11-24-20(27)19-13-7-4-5-10-17(13)28-21(19)25-18(26)12-14-15(22)8-6-9-16(14)23/h6,8-9H,2-5,7,10-12H2,1H3,(H,24,27)(H,25,26)