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

Systemtic Name: N-tert-butyl-2-[4-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[4-(ethylamino)quinazolin-2-yl]thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H33N6O2S+ MolecularWeight: 445.60142

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H32N6O2S/c1-5-23-20-16-8-6-7-9-17(16)24-21(25-20)31-15-19(30)28-12-10-27(11-13-28)14-18(29)26-22(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,26,29)(H,23,24,25)/p+1