N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-p-dioxin-5-carboxamide Formula: C19H24N3O4S2+ MolecularWeight: 422.54156

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=COCCO4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=COCCO4

InChI

InChI=1S/C19H23N3O4S2/c1-27-14-2-3-15-17(12-14)28-19(20-15)22(5-4-21-6-8-24-9-7-21)18(23)16-13-25-10-11-26-16/h2-3,12-13H,4-11H2,1H3/p+1