3-chloranyl-6-fluoranyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[[4-(morpholinomethyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[[4-(4-morpholinylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[4-(morpholinomethyl)benzyl]benzothiophene-2-carboxamide Formula: C21H20ClFN2O2S MolecularWeight: 418.912103

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)CNC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H20ClFN2O2S/c22-19-17-6-5-16(23)11-18(17)28-20(19)21(26)24-12-14-1-3-15(4-2-14)13-25-7-9-27-10-8-25/h1-6,11H,7-10,12-13H2,(H,24,26)