N-(4-methylpiperazin-4-ium-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-2-[(4-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(4-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-[(4-phenylquinazolin-2-yl)thio]acetamide Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-25-11-13-26(14-12-25)24-19(27)15-28-21-22-18-10-6-5-9-17(18)20(23-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,24,27)/p+1