N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-5-[(phenylthio)methyl]-2-furancarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-5-[(phenylthio)methyl]-2-furamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2S/c1-3-27-13-15-28(16-14-27)23-11-9-20(17-19(23)2)26-25(29)24-12-10-21(30-24)18-31-22-7-5-4-6-8-22/h4-12,17H,3,13-16,18H2,1-2H3,(H,26,29)/p+1