N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-5-[(phenylthio)methyl]-2-furancarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-[(phenylthio)methyl]-2-furamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)CSC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)CSC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-25-13-15-26(16-14-25)19-9-7-18(8-10-19)24-23(27)22-12-11-20(28-22)17-29-21-5-3-2-4-6-21/h2-12H,13-17H2,1H3,(H,24,27)/p+1