N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)phenyl]-3-[(methylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[2-(4-methylpiperazino)phenyl]-3-[(methylthio)methyl]coumarilamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4O3)CSC

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4O3)CSC

InChI

InChI=1S/C22H25N3O2S/c1-24-11-13-25(14-12-24)19-9-5-4-8-18(19)23-22(26)21-17(15-28-2)16-7-3-6-10-20(16)27-21/h3-10H,11-15H2,1-2H3,(H,23,26)