N-[(1-methylimidazol-2-yl)-phenyl-methyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-3-[(methylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-3-[(methylthio)methyl]coumarilamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC

InChI

InChI=1S/C22H21N3O2S/c1-25-13-12-23-21(25)19(15-8-4-3-5-9-15)24-22(26)20-17(14-28-2)16-10-6-7-11-18(16)27-20/h3-13,19H,14H2,1-2H3,(H,24,26)