N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide

Systemtic Name: N-[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide Openeye Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfonyl-acetamide CAS Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3-methyl-1-piperidinyl)-2-oxoethyl]sulfonylacetamide IUPAC Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide Traditional Name: N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-keto-2-(3-methylpiperidino)ethyl]sulfonyl-acetamide Formula: C21H28BrN3O5S2 MolecularWeight: 546.49812

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC(C3)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H28BrN3O5S2/c1-3-30-10-9-25-17-7-6-16(22)11-18(17)31-21(25)23-19(26)13-32(28,29)14-20(27)24-8-4-5-15(2)12-24/h6-7,11,15H,3-5,8-10,12-14H2,1-2H3