N-(2-chlorophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-chlorophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-chlorophenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-chlorophenyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C21H22ClN4O2S+ MolecularWeight: 429.94298

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4O2S/c22-16-6-2-4-8-18(16)24-20(27)14-29-21-15-5-1-3-7-17(15)23-19(25-21)13-26-9-11-28-12-10-26/h1-8H,9-14H2,(H,24,27)/p+1