N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[[2-(2-furanyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[2-(2-furyl)quinazolin-4-yl]thio]acetamide Formula: C26H28N5O2S+ MolecularWeight: 474.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C26H27N5O2S/c1-2-30-13-15-31(16-14-30)20-11-9-19(10-12-20)27-24(32)18-34-26-21-6-3-4-7-22(21)28-25(29-26)23-8-5-17-33-23/h3-12,17H,2,13-16,18H2,1H3,(H,27,32)/p+1