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

Systemtic Name: N-(3-methoxyphenyl)-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazolin-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O4S/c1-30-18-6-4-5-17(15-18)24-21(28)16-32-23-25-20-8-3-2-7-19(20)22(29)27(23)10-9-26-11-13-31-14-12-26/h2-8,15H,9-14,16H2,1H3,(H,24,28)/p+1