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

Systemtic Name: 3-chloranyl-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-6-fluoro-benzothiophene-2-carboxamide Formula: C22H23ClFN3O2S MolecularWeight: 447.953323

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C22H23ClFN3O2S/c1-3-27(4-2)12-11-25-21(28)14-5-8-16(9-6-14)26-22(29)20-19(23)17-10-7-15(24)13-18(17)30-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,25,28)(H,26,29)