2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 3-(2-isopropylphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylthio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthio)-3-o-cumenyl-quinazolin-4-one Formula: C23H28N3O2S+ MolecularWeight: 410.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC[NH+]4CCOCC4

InChI

InChI=1S/C23H27N3O2S/c1-17(2)18-7-4-6-10-21(18)26-22(27)19-8-3-5-9-20(19)24-23(26)29-16-13-25-11-14-28-15-12-25/h3-10,17H,11-16H2,1-2H3/p+1