N-tert-butyl-2-[4-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C26H32N5O3S+ MolecularWeight: 494.62898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O3S/c1-26(2,3)28-22(32)17-29-13-15-30(16-14-29)23(33)18-35-25-27-21-12-8-7-11-20(21)24(34)31(25)19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3,(H,28,32)/p+1