N-(3-chloranyl-4-methyl-phenyl)-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-2-yl]thio]acetamide Formula: C23H26ClN4O3S+ MolecularWeight: 473.99554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4)Cl

InChI

InChI=1S/C23H25ClN4O3S/c1-16-6-7-17(14-19(16)24)25-21(29)15-32-23-26-20-5-3-2-4-18(20)22(30)28(23)9-8-27-10-12-31-13-11-27/h2-7,14H,8-13,15H2,1H3,(H,25,29)/p+1