3-(methylsulfanylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(methylsulfanylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzofuran-2-carboxamide CAS Name: 3-[(methylthio)methyl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-benzofurancarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(methylthio)methyl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]coumarilamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c1-29-17-20-19-9-5-6-10-21(19)28-22(20)23(27)24-11-12-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,24,27)/p+1