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

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]-3-[(methylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[3-methyl-4-(4-methylpiperazino)phenyl]-3-[(methylthio)methyl]coumarilamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC)N4CCN(CC4)C

InChI

InChI=1S/C23H27N3O2S/c1-16-14-17(8-9-20(16)26-12-10-25(2)11-13-26)24-23(27)22-19(15-29-3)18-6-4-5-7-21(18)28-22/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)