N-(4-methylpiperazin-4-ium-1-yl)-2-quinazolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-2-quinazolin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-quinazolin-2-ylsulfanyl-acetamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-2-(2-quinazolinylthio)acetamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-2-quinazolin-2-ylsulfanylacetamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(quinazolin-2-ylthio)acetamide Formula: C15H20N5OS+ MolecularWeight: 318.4172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CSC2=NC3=CC=CC=C3C=N2

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CSC2=NC3=CC=CC=C3C=N2

InChI

InChI=1S/C15H19N5OS/c1-19-6-8-20(9-7-19)18-14(21)11-22-15-16-10-12-4-2-3-5-13(12)17-15/h2-5,10H,6-9,11H2,1H3,(H,18,21)/p+1