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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-furancarboxamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-2-furamide Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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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=CC=CO4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C19H21N3O3S2/c1-26-14-4-5-15-17(13-14)27-19(20-15)22(18(23)16-3-2-10-25-16)7-6-21-8-11-24-12-9-21/h2-5,10,13H,6-9,11-12H2,1H3/p+1