4-[[4-(1,3-benzothiazol-2-ylmethylsulfanyl)quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-ylmethylsulfanyl)quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(1,3-benzothiazol-2-ylmethylsulfanyl)quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethylthio)-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(1,3-benzothiazol-2-ylmethylsulfanyl)quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-(1,3-benzothiazol-2-ylmethylthio)quinazolin-2-yl]methyl]morpholin-4-ium Formula: C21H21N4OS2+ MolecularWeight: 409.54764

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N4OS2/c1-2-6-16-15(5-1)21(24-19(22-16)13-25-9-11-26-12-10-25)27-14-20-23-17-7-3-4-8-18(17)28-20/h1-8H,9-14H2/p+1