3-chloranyl-6-fluoranyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[[4-[isopropyl(methyl)carbamoyl]phenyl]methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[[4-[[methyl(propan-2-yl)amino]-oxomethyl]phenyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[4-[isopropyl(methyl)carbamoyl]benzyl]benzothiophene-2-carboxamide Formula: C21H20ClFN2O2S MolecularWeight: 418.912103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CC(C)N(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN2O2S/c1-12(2)25(3)21(27)14-6-4-13(5-7-14)11-24-20(26)19-18(22)16-9-8-15(23)10-17(16)28-19/h4-10,12H,11H2,1-3H3,(H,24,26)