3-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(dimethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(dimethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(dimethylcarbamoyl)phenyl]benzofuran-2-carboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[4-[dimethylamino(oxo)methyl]phenyl]-2-benzofurancarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(dimethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[4-(dimethylcarbamoyl)phenyl]coumarilamide Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O3S/c1-28(2)25(30)16-7-11-18(12-8-16)27-24(29)23-21(20-5-3-4-6-22(20)31-23)15-32-19-13-9-17(26)10-14-19/h3-14H,15H2,1-2H3,(H,27,29)