2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[[2-(p-tolyl)thiazol-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 2-[[2-(4-methylphenyl)-4-thiazolyl]methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[[2-(p-tolyl)thiazol-4-yl]methylthio]quinazolin-4-one Formula: C26H29N4O2S2+ MolecularWeight: 493.66406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

InChI

InChI=1S/C26H28N4O2S2/c1-19-7-9-20(10-8-19)24-27-21(17-33-24)18-34-26-28-23-6-3-2-5-22(23)25(31)30(26)12-4-11-29-13-15-32-16-14-29/h2-3,5-10,17H,4,11-16,18H2,1H3/p+1