N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonyl-ethanamide

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfonyl-ethanamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-morpholino-2-oxo-ethyl)sulfonyl-acetamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-morpholinyl)-2-oxoethyl]sulfonylacetamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-morpholin-4-yl-2-oxoethyl)sulfonylacetamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-keto-2-morpholino-ethyl)sulfonyl-acetamide Formula: C18H22BrN3O6S2 MolecularWeight: 520.41778

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCOCC3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCOCC3

InChI

InChI=1S/C18H22BrN3O6S2/c1-27-7-6-22-14-3-2-13(19)10-15(14)29-18(22)20-16(23)11-30(25,26)12-17(24)21-4-8-28-9-5-21/h2-3,10H,4-9,11-12H2,1H3